PDBID stringlengths 4 4 | Resolution stringlengths 1 13 | Year int64 1.98k 2.02k | Ligand Name stringlengths 1 7 | Ligand Chain stringclasses 53
values | Ligand Residue Number stringlengths 1 9 | Binding Affinity Measurement stringclasses 4
values | Binding Affinity Sign stringclasses 6
values | Binding Affinity Value float64 0 500M | Binding Affinity Unit stringclasses 6
values | Log Binding Affinity float64 -14 2.97 ⌀ | Binding Affinity Source stringclasses 3
values | Binding Affinity Annotation stringlengths 6 72 | Protein UniProtID stringlengths 6 55 ⌀ | Protein UniProtName stringlengths 2 575 ⌀ | Ligand SMILES stringlengths 4 352 | Ligand MW float64 44 1.82k | Ligand LogP float64 -23.01 13.7 | Ligand TPSA float64 0 786 | Ligand NumRotBond int64 0 59 | Ligand NumHeavyAtoms int64 3 120 | Ligand NumHDon int64 0 30 | Ligand NumHAcc int64 0 56 | Ligand QED float64 0.01 0.95 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4ur9 | 2.2 | 2,015 | BK9 | B | 1717 | kd | = | 3.1 | mM | -2.508638 | MOAD | Kd=3.1mM | Q89ZI2 | O-GLCNACASE BT_4395 | CCOc1ncnc2ccccc12 | 174.203 | 2.0285 | 35.01 | 2 | 13 | 0 | 3 | 0.698283 |
4ura | 2.23 | 2,015 | LEL | A | 4000 | ic50 | = | 0.000003 | uM | -11.500313 | MOAD | ic50=3.16e-06uM | O75164 | LYSINE-SPECIFIC DEMETHYLASE 4A | O=C([O-])c1ccnc(-c2cn[nH]n2)c1 | 189.154 | -0.7698 | 94.59 | 2 | 14 | 1 | 5 | 0.668873 |
4ura | 2.23 | 2,015 | LEL | B | 4000 | ic50 | = | 0.000003 | uM | -11.500313 | MOAD | ic50=3.16e-06uM | O75164 | LYSINE-SPECIFIC DEMETHYLASE 4A | O=C([O-])c1ccnc(-c2cn[nH]n2)c1 | 189.154 | -0.7698 | 94.59 | 2 | 14 | 1 | 5 | 0.668873 |
4urk | 2.9 | 2,014 | A82 | A | 2092 | ic50 | = | 1,090 | nM | -5.962574 | BindingDB | IC50=1090nM | P48736 | PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Cc1cc([C@@H](C)Nc2ccccc2C(=O)[O-])c2nc(N3CCOCC3)cc(=O)n2c1 | 407.45 | 1.37612 | 99 | 5 | 30 | 1 | 8 | 0.682051 |
4url | 2.29 | 2,014 | XAM | A | 2000 | ic50 | = | 500 | nM | -6.30103 | MOAD | ic50=500.0nM | X5EN43,X5EN43 | DNA TOPOISOMERASE IV, B SUBUNIT,DNA TOPOISOMERASE IV, B SUBUNIT | C=C1CC[C@@H](O[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@H](O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@H](C(=O)C3=C(O)[C@H](C(C)C)N([C@@H]4O[C@@H](C)[C@@H](OC(N)=O)[C@@H](OC(C)=O)[C@H]4OC)C3=O)[C@@H]12 | 939.884 | 4.16822 | 258.5 | 12 | 64 | 6 | 14 | 0.097763 |
4url | 2.29 | 2,014 | XAM | B | 2000 | ic50 | = | 500 | nM | -6.30103 | MOAD | ic50=500.0nM | X5EN43,X5EN43 | DNA TOPOISOMERASE IV, B SUBUNIT,DNA TOPOISOMERASE IV, B SUBUNIT | C=C1CC[C@@H](O[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@H](O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@H](C(=O)C3=C(O)[C@H](C(C)C)N([C@@H]4O[C@@H](C)[C@@H](OC(N)=O)[C@@H](OC(C)=O)[C@H]4OC)C3=O)[C@@H]12 | 939.884 | 4.16822 | 258.5 | 12 | 64 | 6 | 14 | 0.097763 |
4uro | 2.59 | 2,014 | NOV | A | 2000 | ic50 | = | 41 | nM | -7.387216 | BindingDB | IC50=41nM | P0A0K8,P0A0K8 | DNA GYRASE SUBUNIT B,DNA GYRASE SUBUNIT B | CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C | 612.632 | 3.62712 | 200.01 | 8 | 44 | 5 | 11 | 0.183746 |
4uro | 2.59 | 2,014 | NOV | B | 2000 | ic50 | = | 41 | nM | -7.387216 | BindingDB | IC50=41nM | P0A0K8 | DNA GYRASE SUBUNIT B | CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C | 612.632 | 3.62712 | 200.01 | 8 | 44 | 5 | 11 | 0.183746 |
4uro | 2.59 | 2,014 | NOV | C | 2000 | ic50 | = | 41 | nM | -7.387216 | BindingDB | IC50=41nM | P0A0K8 | DNA GYRASE SUBUNIT B | CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C | 612.632 | 3.62712 | 200.01 | 8 | 44 | 5 | 11 | 0.183746 |
4uro | 2.59 | 2,014 | NOV | D | 2000 | ic50 | = | 41 | nM | -7.387216 | BindingDB | IC50=41nM | P0A0K8 | DNA GYRASE SUBUNIT B | CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C | 612.632 | 3.62712 | 200.01 | 8 | 44 | 5 | 11 | 0.183746 |
4urx | 2.49 | 2,015 | FK1 | S | 2046 | kd | = | 6 | mM | -2.221849 | MOAD | Kd=6.0mM | P01112,Q07889 | GTPASE HRAS,SON OF SEVENLESS HOMOLOG 1 | Brc1ccc2cc[nH]c2c1 | 196.047 | 2.9304 | 15.79 | 0 | 10 | 1 | 0 | 0.666141 |
4urx | 2.49 | 2,015 | HXY | S | 2047 | kd | = | 1.3 | mM | -2.886057 | MOAD | Kd=1.3mM | P01112,Q07889 | GTPASE HRAS,SON OF SEVENLESS HOMOLOG 1 | Brc1ccc(C[NH+]2CCCC2)cc1 | 241.152 | 1.6278 | 4.44 | 2 | 13 | 1 | 0 | 0.802224 |
4ury | 2.47 | 2,015 | RV1 | R | 1167 | kd | = | 6 | mM | -2.221849 | MOAD | Kd=6.0mM | P01112,Q07889 | GTPASE HRAS,SON OF SEVENLESS HOMOLOG 1 | Nc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1 | 240.284 | 0.4837 | 89.26 | 3 | 16 | 2 | 4 | 0.752071 |
4ury | 2.47 | 2,015 | RV1 | S | 2046 | kd | = | 6 | mM | -2.221849 | MOAD | Kd=6.0mM | Q07889 | SON OF SEVENLESS HOMOLOG 1 | Nc1ccc(S(=O)(=O)NC(=O)C2CC2)cc1 | 240.284 | 0.4837 | 89.26 | 3 | 16 | 2 | 4 | 0.752071 |
4urz | 2.24 | 2,015 | VJP | R | 1167 | kd | = | 3 | mM | -2.522879 | MOAD | Kd=3.0mM | P01112,Q07889 | GTPASE HRAS,SON OF SEVENLESS HOMOLOG 1 | Nc1ccc(S(=O)(=O)N2CCCCC2=O)cc1 | 254.311 | 0.97 | 80.47 | 2 | 17 | 1 | 4 | 0.797347 |
4us3 | 2.098 | 2,014 | TRP | A | 601 | kd | = | 4.8 | uM | -5.318759 | MOAD | Kd=4.8uM | Q9KDT3 | TRANSPORTER | [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] | 204.229 | -0.9292 | 83.56 | 3 | 15 | 2 | 2 | 0.67672 |
4usi | 1.45 | 2,014 | AKG | A | 1153 | kd | = | 38.9 | uM | -4.41005 | MOAD | Kd=38.9uM | A8JI83,A8JI83 | NITROGEN REGULATORY PROTEIN PII,NITROGEN REGULATORY PROTEIN PII | O=C([O-])CCC(=O)C(=O)[O-] | 144.082 | -3.1645 | 97.33 | 4 | 10 | 0 | 5 | 0.387588 |
4usi | 1.45 | 2,014 | AKG | B | 1153 | kd | = | 38.9 | uM | -4.41005 | MOAD | Kd=38.9uM | A8JI83,A8JI83 | NITROGEN REGULATORY PROTEIN PII,NITROGEN REGULATORY PROTEIN PII | O=C([O-])CCC(=O)C(=O)[O-] | 144.082 | -3.1645 | 97.33 | 4 | 10 | 0 | 5 | 0.387588 |
4usw | 2.05 | 2,014 | ATP | A | 1471 | kd | = | 2.03 | mM | -2.692504 | MOAD | Kd=2.03mM | Q96PN6 | ADENYLATE CYCLASE TYPE 10 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 503.15 | -4.157 | 290.45 | 8 | 31 | 3 | 18 | 0.28788 |
4uu0 | 2.5 | 2,014 | TG1 | A | 1003 | kd | = | 0.2 | nM | -9.69897 | BindingDB | Kd=0.200000nM,IC50=0.2nM | P04191 | SERCA1A | CC=C(C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O | 650.762 | 3.9279 | 171.96 | 13 | 46 | 2 | 12 | 0.096888 |
4uu1 | 2.8 | 2,014 | TG1 | A | 1003 | kd | = | 0.2 | nM | -9.69897 | BindingDB | Kd=0.200000nM,IC50=0.2nM | P04191 | SARCOPLASMIC ENDOPLASMIC RETICULUM CALCIUM ATPASE | CC=C(C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O | 650.762 | 3.9279 | 171.96 | 13 | 46 | 2 | 12 | 0.096888 |
4uvu | 1.95 | 2,015 | U1T | A | 2162 | ic50 | = | 1,200 | nM | -5.920819 | MOAD | ic50=1200.0nM | Q9H2K2,Q9H2K2 | TANKYRASE-2,TANKYRASE-2 | Cc1cccc2c(=O)[nH]c(-c3ccc(C[NH+]4CCCC4)cc3)cc12 | 319.428 | 2.68222 | 37.3 | 3 | 24 | 2 | 1 | 0.76511 |
4uvu | 1.95 | 2,015 | U1T | B | 2162 | ic50 | = | 1,200 | nM | -5.920819 | MOAD | ic50=1200.0nM | Q9H2K2 | TANKYRASE-2 | Cc1cccc2c(=O)[nH]c(-c3ccc(C[NH+]4CCCC4)cc3)cc12 | 319.428 | 2.68222 | 37.3 | 3 | 24 | 2 | 1 | 0.76511 |
4uvv | 1.9 | 2,015 | W8L | A | 2162 | ic50 | = | 32 | nM | -7.49485 | MOAD | ic50=32.0nM | Q9H2K2,Q9H2K2 | TANKYRASE-2,TANKYRASE-2 | Cc1cccc2c(=O)[nH]c(-c3ccc(Cl)cc3)cc12 | 269.731 | 4.15692 | 32.86 | 1 | 19 | 1 | 1 | 0.706975 |
4uvv | 1.9 | 2,015 | W8L | B | 2162 | ic50 | = | 32 | nM | -7.49485 | MOAD | ic50=32.0nM | Q9H2K2 | TANKYRASE-2 | Cc1cccc2c(=O)[nH]c(-c3ccc(Cl)cc3)cc12 | 269.731 | 4.15692 | 32.86 | 1 | 19 | 1 | 1 | 0.706975 |
4uvw | 2.1 | 2,015 | NYJ | A | 2165 | ic50 | = | 19 | nM | -7.721246 | MOAD | ic50=19.0nM | Q9H2K2,Q9H2K2 | TANKYRASE-2,TANKYRASE-2 | Cc1cccc2c(=O)[nH]c(-c3ccccc3)c(C)c12 | 249.313 | 3.81194 | 32.86 | 1 | 19 | 1 | 1 | 0.698521 |
4uvw | 2.1 | 2,015 | NYJ | B | 2165 | ic50 | = | 19 | nM | -7.721246 | MOAD | ic50=19.0nM | Q9H2K2 | TANKYRASE-2 | Cc1cccc2c(=O)[nH]c(-c3ccccc3)c(C)c12 | 249.313 | 3.81194 | 32.86 | 1 | 19 | 1 | 1 | 0.698521 |
4uvx | 1.95 | 2,015 | H2W | A | 2166 | ic50 | = | 11 | nM | -7.958607 | MOAD | ic50=11.0nM | Q9H2K2,Q9H2K2 | TANKYRASE-2,TANKYRASE-2 | O=c1[nH]c(-c2ccc(Cl)cc2)cc2c(F)cccc12 | 273.694 | 3.9876 | 32.86 | 1 | 19 | 1 | 1 | 0.714426 |
4uvx | 1.95 | 2,015 | H2W | B | 2165 | ic50 | = | 11 | nM | -7.958607 | MOAD | ic50=11.0nM | Q9H2K2 | TANKYRASE-2 | O=c1[nH]c(-c2ccc(Cl)cc2)cc2c(F)cccc12 | 273.694 | 3.9876 | 32.86 | 1 | 19 | 1 | 1 | 0.714426 |
4uvy | 1.95 | 2,015 | SGW | A | 2165 | ic50 | = | 5.5 | nM | -8.259637 | MOAD | ic50=5.5nM | Q9H2K2,Q9H2K2 | TANKYRASE-2,TANKYRASE-2 | COc1cccc2c(=O)[nH]c(-c3ccc(Cl)cc3)cc12 | 285.73 | 3.8571 | 42.09 | 2 | 20 | 1 | 2 | 0.776758 |
4uvy | 1.95 | 2,015 | SGW | B | 2165 | ic50 | = | 5.5 | nM | -8.259637 | MOAD | ic50=5.5nM | Q9H2K2 | TANKYRASE-2 | COc1cccc2c(=O)[nH]c(-c3ccc(Cl)cc3)cc12 | 285.73 | 3.8571 | 42.09 | 2 | 20 | 1 | 2 | 0.776758 |
4uwd | 1.721 | 2,014 | UN9 | A | 601 | kd | = | 80 | nM | -7.09691 | BindingDB | IC50=300nM,EC50=79000nM,Kd=80nM | Q9GZT9 | EGL NINE HOMOLOG 1 | O=C([O-])CNC(=O)c1nc(Cl)c2ccccc2c1O | 279.659 | 0.0735 | 102.35 | 3 | 19 | 2 | 5 | 0.774373 |
4uwf | 2.99 | 2,014 | EUT | A | 4000 | ic50 | = | 7 | nM | -8.154902 | BindingDB | IC50=7.0nM | Q8NEB9 | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2c1cc(F)cc(F)c1 | 416.35 | 2.8308 | 50.6 | 2 | 29 | 0 | 6 | 0.705236 |
4uwg | 2.7 | 2,014 | RBQ | A | 1873 | ic50 | = | 7 | nM | -8.154902 | BindingDB | IC50=7.0nM | Q8NEB9 | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | CC(C)OCCN1c2nc(N3CCOCC3)cc(=O)n2CC[C@H]1C(F)(F)F | 390.406 | 1.6459 | 59.83 | 5 | 27 | 0 | 7 | 0.762087 |
4uwh | 1.93 | 2,014 | JXM | A | 1876 | ic50 | = | 3 | nM | -8.522879 | MOAD | ic50=3.0nM | Q8NEB9 | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2C[C@H](O)c1ccccc1 | 424.423 | 1.9545 | 70.83 | 4 | 30 | 1 | 7 | 0.809366 |
4uwl | 2.8 | 2,014 | 7A5 | A | 1872 | ic50 | = | 82 | nM | -7.086186 | BindingDB | IC50=82nM | Q8NEB9 | PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | CC(C)C(=O)CN1c2nc(N3CCOC[C@H]3C)cc(=O)n2CC[C@H]1C(F)(F)F | 402.417 | 1.8345 | 67.67 | 4 | 28 | 0 | 7 | 0.765722 |
4uxb | 3.22 | 2,015 | P34 | A | 2011 | kd | = | 110 | nM | -6.958607 | BindingDB | IC50=110nM,Kd=110nM,EC50=20nM | P09874 | POLY ADP-RIBOSE POLYMERASE 1 | C[NH+](C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 | 296.35 | 0.7643 | 66.4 | 3 | 22 | 3 | 2 | 0.62491 |
4uxb | 3.22 | 2,015 | P34 | B | 2010 | kd | = | 110 | nM | -6.958607 | BindingDB | IC50=110nM,Kd=110nM,EC50=20nM | P09874 | POLY ADP-RIBOSE POLYMERASE 1 | C[NH+](C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 | 296.35 | 0.7643 | 66.4 | 3 | 22 | 3 | 2 | 0.62491 |
4uxh | 2.4 | 2,015 | T5A | A | 1180 | ic50 | = | 1.1 | uM | -5.958607 | MOAD | ic50=1.1uM | Q4QC75 | THYMIDINE KINASE | Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O | 886.316 | -5.02368 | 459.66 | 16 | 55 | 5 | 29 | 0.08405 |
4uxh | 2.4 | 2,015 | T5A | B | 1182 | ic50 | = | 1.1 | uM | -5.958607 | MOAD | ic50=1.1uM | Q4QC75 | THYMIDINE KINASE | Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O | 886.316 | -5.02368 | 459.66 | 16 | 55 | 5 | 29 | 0.08405 |
4uxl | 2.4 | 2,015 | 5P8 | A | 3230 | ki | < | 0.025 | nM | -10.60206 | MOAD | Ki<0.025nM | P08922 | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS | C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21 | 406.421 | 2.80068 | 110.06 | 0 | 30 | 1 | 7 | 0.614697 |
4uxq | 1.85 | 2,014 | 0LI | A | 1752 | kd | = | 16 | nM | -7.79588 | MOAD | Kd=16.0nM | P22455 | FIBROBLAST GROWTH FACTOR RECEPTOR 4 | Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 | 533.578 | 3.03892 | 66.97 | 4 | 39 | 2 | 5 | 0.396158 |
4uy1 | 2.2 | 2,014 | TJM | A | 1130 | ic50 | = | 20 | uM | -4.69897 | MOAD | ic50=20.0uM | O15496 | GROUP 10 SECRETORY PHOSPHOLIPASE A2 | Cc1cc(-c2cc(C(N)=O)n[nH]2)c(C)s1 | 221.285 | 1.85394 | 71.77 | 2 | 15 | 2 | 3 | 0.811961 |
4uy1 | 2.2 | 2,014 | TJM | B | 1129 | ic50 | = | 20 | uM | -4.69897 | MOAD | ic50=20.0uM | O15496 | GROUP 10 SECRETORY PHOSPHOLIPASE A2 | Cc1cc(-c2cc(C(N)=O)n[nH]2)c(C)s1 | 221.285 | 1.85394 | 71.77 | 2 | 15 | 2 | 3 | 0.811961 |
4uyd | 1.37 | 2,014 | V1T | A | 1171 | ic50 | = | 79.4 | uM | -4.100179 | MOAD | ic50=79.4uM | O60885 | BROMODOMAIN-CONTAINING PROTEIN 4 | Cn1c(=O)n(C)c2cc(C(N)=O)ccc21 | 205.217 | -0.0241 | 70.02 | 1 | 15 | 1 | 4 | 0.710129 |
4uye | 1.65 | 2,014 | 9F9 | A | 1739 | kd | = | 9.54 | nM | -8.020452 | MOAD | Kd=9.54nM | P55201,P55201 | PEREGRIN,PEREGRIN | COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C | 394.475 | 3.1282 | 68.5 | 4 | 29 | 1 | 6 | 0.738251 |
4uye | 1.65 | 2,014 | 9F9 | B | 1738 | kd | = | 9.54 | nM | -8.020452 | MOAD | Kd=9.54nM | P55201,P55201 | PEREGRIN,PEREGRIN | COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C | 394.475 | 3.1282 | 68.5 | 4 | 29 | 1 | 6 | 0.738251 |
4uyf | 1.6 | 2,014 | 73B | A | 1191 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440 | BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyf | 1.6 | 2,014 | 73B | B | 1185 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440 | BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyf | 1.6 | 2,014 | 73B | C | 1183 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440,P25440,P25440 | BROMODOMAIN-CONTAINING PROTEIN 2,BROMODOMAIN-CONTAINING PROTEIN 2,BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyg | 2.5 | 2,014 | 73B | A | 1456 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440,P25440 | BROMODOMAIN-CONTAINING PROTEIN 2,BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyg | 2.5 | 2,014 | 73B | B | 1456 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440,P25440 | BROMODOMAIN-CONTAINING PROTEIN 2,BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyg | 2.5 | 2,014 | 73B | C | 1456 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440,P25440,P25440 | BROMODOMAIN-CONTAINING PROTEIN 2,BROMODOMAIN-CONTAINING PROTEIN 2,BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyg | 2.5 | 2,014 | 73B | D | 1456 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440 | BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyg | 2.5 | 2,014 | 73B | E | 1456 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440 | BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyg | 2.5 | 2,014 | 73B | F | 1456 | kd | = | 4.4 | nM | -8.356547 | MOAD | Kd=4.4nM | P25440 | BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@@H]1C | 433.915 | 4.6688 | 72.47 | 4 | 31 | 1 | 4 | 0.648575 |
4uyh | 1.73 | 2,014 | 9S3 | A | 1184 | ic50 | = | 0 | M | -8 | MOAD | ic50=1e-08M | P25440 | BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C | 454.638 | 5.2207 | 36.78 | 5 | 34 | 2 | 2 | 0.554544 |
4uyh | 1.73 | 2,014 | 9S3 | B | 1183 | ic50 | = | 0 | M | -8 | MOAD | ic50=1e-08M | P25440 | BROMODOMAIN-CONTAINING PROTEIN 2 | CC(=O)N1c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C | 454.638 | 5.2207 | 36.78 | 5 | 34 | 2 | 2 | 0.554544 |
4uyn | 1.9 | 2,014 | Y3M | A | 1392 | ic50 | = | 4 | nM | -8.39794 | MOAD | ic50=4.0nM | O14965 | AURORA KINASE A | CCOC(=O)c1[nH]cc2c1N=C1CCCC(O)=C1[C@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1 | 474.542 | 6.0259 | 116.5 | 5 | 34 | 3 | 7 | 0.304336 |
4uzd | 3.2 | 2,014 | QMN | A | 1389 | ic50 | = | 0.6 | nM | -9.221849 | BindingDB | IC50=0.600000nM,EC50=106nM | O14965,O14965 | AURORA KINASE A,AURORA KINASE A | CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1 | 468.513 | 5.4245 | 109.1 | 5 | 35 | 3 | 6 | 0.337359 |
4uzd | 3.2 | 2,014 | QMN | B | 1390 | ic50 | = | 0.6 | nM | -9.221849 | BindingDB | IC50=0.600000nM,EC50=106nM | O14965 | AURORA KINASE A | CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1 | 468.513 | 5.4245 | 109.1 | 5 | 35 | 3 | 6 | 0.337359 |
4uzh | 2.0 | 2,014 | JVE | A | 1392 | ic50 | = | 9,800 | nM | -5.008774 | MOAD | ic50=9800.0nM | O14965 | AURORA 2 KINASE DOMAIN | O=C1C[NH2+]CC2=C1[C@@H](c1ccccc1F)c1c[nH]nc1N2 | 285.302 | 0.5064 | 74.39 | 1 | 21 | 3 | 3 | 0.714351 |
4v0u | 7.88 | 2,015 | LAB | A | 1376 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135,P68135 | ACTIN, ALPHA SKELETAL MUSCLE,ACTIN, ALPHA SKELETAL MUSCLE | CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
4v0u | 7.88 | 2,015 | LAB | B | 1376 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135,P68135 | ACTIN, ALPHA SKELETAL MUSCLE,ACTIN, ALPHA SKELETAL MUSCLE | CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
4v0u | 7.88 | 2,015 | LAB | C | 1376 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135,P68135 | ACTIN, ALPHA SKELETAL MUSCLE,ACTIN, ALPHA SKELETAL MUSCLE | CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
4v0u | 7.88 | 2,015 | LAB | L | 1376 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135 | ACTIN, ALPHA SKELETAL MUSCLE | CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
4v0u | 7.88 | 2,015 | LAB | M | 1376 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135,P68135 | ACTIN, ALPHA SKELETAL MUSCLE,ACTIN, ALPHA SKELETAL MUSCLE | CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
4v24 | 1.8 | 2,014 | GYR | A | 1450 | ki | = | 4.3 | nM | -8.366532 | MOAD | Ki=4.3nM | Q9NYA1 | SPHINGOSINE KINASE 1 | Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)c1 | 466.623 | 3.08752 | 68.04 | 9 | 33 | 2 | 4 | 0.508651 |
4v24 | 1.8 | 2,014 | GYR | B | 1450 | ki | = | 4.3 | nM | -8.366532 | MOAD | Ki=4.3nM | Q9NYA1 | SPHINGOSINE KINASE 1 | Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)c1 | 466.623 | 3.08752 | 68.04 | 9 | 33 | 2 | 4 | 0.508651 |
4v25 | 2.6 | 2,014 | TF3 | A | 1367 | ic50 | = | 2,000 | nM | -5.69897 | BindingDB | IC50=2000nM | Q15119 | [PYRUVATE DEHYDROGENASE (ACETYL-TRANSFERRING)] KINASE ISOZYME 2, MITOCHONDRIAL | CC(C)c1ccc(COc2ccc(CC(=O)NCC[NH3+])cc2Cl)cc1 | 361.893 | 2.943 | 65.97 | 8 | 25 | 2 | 2 | 0.758735 |
4v25 | 2.6 | 2,014 | SZ6 | A | 1369 | ic50 | = | 80 | nM | -7.09691 | BindingDB | IC50=80nM | Q15119 | [PYRUVATE DEHYDROGENASE (ACETYL-TRANSFERRING)] KINASE ISOZYME 2, MITOCHONDRIAL | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 | 552.965 | 5.24492 | 115.65 | 8 | 39 | 3 | 6 | 0.257321 |
4v26 | 2.49 | 2,014 | TF3 | A | 1367 | ic50 | = | 2,000 | nM | -5.69897 | BindingDB | IC50=2000nM | Q15119 | [PYRUVATE DEHYDROGENASE (ACETYL-TRANSFERRING)] KINASE ISOZYME 2, MITOCHONDRIAL | CC(C)c1ccc(COc2ccc(CC(=O)NCC[NH3+])cc2Cl)cc1 | 361.893 | 2.943 | 65.97 | 8 | 25 | 2 | 2 | 0.758735 |
4v2o | 2.13 | 2,015 | CLQ | B | 1079 | kd | = | 0.000032 | M | -4.49693 | MOAD | Ka=31400.0M^-1 | P07602 | SAPOSIN-B | CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 | 320.888 | 3.3935 | 29.36 | 8 | 22 | 2 | 2 | 0.780429 |
4v2o | 2.13 | 2,015 | CLQ | C | 1079 | kd | = | 0.000032 | M | -4.49693 | MOAD | Ka=31400.0M^-1 | P07602,P07602 | SAPOSIN-B,SAPOSIN-B | CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 | 320.888 | 3.3935 | 29.36 | 8 | 22 | 2 | 2 | 0.780429 |
4v2y | 1.4 | 2,014 | EF2 | A | 151 | ki | = | 4,400 | nM | -5.356547 | BindingDB | Ki=4400nM,IC50=7800nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 | 258.233 | 0.0878 | 83.55 | 1 | 19 | 1 | 4 | 0.723359 |
4v2y | 1.4 | 2,014 | EF2 | B | 151 | ki | = | 4,400 | nM | -5.356547 | BindingDB | Ki=4400nM,IC50=7800nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 | 258.233 | 0.0878 | 83.55 | 1 | 19 | 1 | 4 | 0.723359 |
4v2y | 1.4 | 2,014 | EF2 | C | 151 | ki | = | 4,400 | nM | -5.356547 | BindingDB | Ki=4400nM,IC50=7800nM | A4TVL0 | CEREBLON ISOFORM 4 | O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 | 258.233 | 0.0878 | 83.55 | 1 | 19 | 1 | 4 | 0.723359 |
4v2z | 1.45 | 2,014 | Y70 | A | 151 | ki | = | 800 | nM | -6.09691 | BindingDB | Ki=800nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O | 273.248 | -0.33 | 109.57 | 1 | 20 | 2 | 5 | 0.537539 |
4v2z | 1.45 | 2,014 | Y70 | B | 151 | ki | = | 800 | nM | -6.09691 | BindingDB | Ki=800nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O | 273.248 | -0.33 | 109.57 | 1 | 20 | 2 | 5 | 0.537539 |
4v2z | 1.45 | 2,014 | Y70 | C | 151 | ki | = | 800 | nM | -6.09691 | BindingDB | Ki=800nM | A4TVL0 | CEREBLON ISOFORM 4 | Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O | 273.248 | -0.33 | 109.57 | 1 | 20 | 2 | 5 | 0.537539 |
4v30 | 1.85 | 2,014 | LVY | A | 151 | ki | = | 3,100 | nM | -5.508638 | BindingDB | Ki=3100nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O | 259.265 | 0.0298 | 92.5 | 1 | 19 | 2 | 4 | 0.549435 |
4v30 | 1.85 | 2,014 | LVY | B | 151 | ki | = | 3,100 | nM | -5.508638 | BindingDB | Ki=3100nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O | 259.265 | 0.0298 | 92.5 | 1 | 19 | 2 | 4 | 0.549435 |
4v30 | 1.85 | 2,014 | LVY | C | 151 | ki | = | 3,100 | nM | -5.508638 | BindingDB | Ki=3100nM | A4TVL0 | CEREBLON ISOFORM 4 | Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O | 259.265 | 0.0298 | 92.5 | 1 | 19 | 2 | 4 | 0.549435 |
4v32 | 1.9 | 2,014 | EF2 | A | 151 | ki | = | 4,400 | nM | -5.356547 | BindingDB | Ki=4400nM,IC50=7800nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 | 258.233 | 0.0878 | 83.55 | 1 | 19 | 1 | 4 | 0.723359 |
4v32 | 1.9 | 2,014 | EF2 | B | 151 | ki | = | 4,400 | nM | -5.356547 | BindingDB | Ki=4400nM,IC50=7800nM | A4TVL0,A4TVL0 | CEREBLON ISOFORM 4,CEREBLON ISOFORM 4 | O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 | 258.233 | 0.0878 | 83.55 | 1 | 19 | 1 | 4 | 0.723359 |
4v32 | 1.9 | 2,014 | EF2 | C | 151 | ki | = | 4,400 | nM | -5.356547 | BindingDB | Ki=4400nM,IC50=7800nM | A4TVL0 | CEREBLON ISOFORM 4 | O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 | 258.233 | 0.0878 | 83.55 | 1 | 19 | 1 | 4 | 0.723359 |
4w1v | 2.24 | 2,015 | 3GS | A | 502 | ic50 | = | 0.659 | uM | -6.181115 | MOAD | ic50=0.659uM | P9WQ80,P9WQ80 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase,Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | COC(=O)c1c(C(=O)OC)c(-c2cccc(F)c2)n2c1C[S@@](=O)C2 | 351.355 | 2.0872 | 74.6 | 3 | 24 | 0 | 6 | 0.791801 |
4w1v | 2.24 | 2,015 | 3GS | B | 502 | ic50 | = | 0.659 | uM | -6.181115 | MOAD | ic50=0.659uM | P9WQ80,P9WQ80 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase,Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | COC(=O)c1c(C(=O)OC)c(-c2cccc(F)c2)n2c1C[S@@](=O)C2 | 351.355 | 2.0872 | 74.6 | 3 | 24 | 0 | 6 | 0.791801 |
4w1w | 1.9 | 2,015 | 3G8 | A | 502 | ic50 | = | 0.195 | uM | -6.709965 | MOAD | ic50=0.195uM | P9WQ80,P9WQ80 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase,Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | CCN(CC)c1ccc2cc(C(=O)c3cccs3)c(=O)oc2c1 | 327.405 | 3.9317 | 50.52 | 5 | 23 | 0 | 5 | 0.526112 |
4w1w | 1.9 | 2,015 | 3G8 | B | 502 | ic50 | = | 0.195 | uM | -6.709965 | MOAD | ic50=0.195uM | P9WQ80,P9WQ80 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase,Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | CCN(CC)c1ccc2cc(C(=O)c3cccs3)c(=O)oc2c1 | 327.405 | 3.9317 | 50.52 | 5 | 23 | 0 | 5 | 0.526112 |
4w4s | 2.0 | 2,015 | B29 | A | 401 | ic50 | = | 9.5 | uM | -5.022276 | MOAD | ic50=9.5uM | Q45222 | Uncharacterized protein blr2150 | O=P([O-])([O-])C(O)(Cc1cccc(-c2cccc3c2oc2ccccc23)c1)P(=O)([O-])[O-] | 444.272 | 1.269 | 159.75 | 5 | 30 | 1 | 8 | 0.450496 |
4w4v | 2.01 | 2,015 | 3H8 | A | 501 | ic50 | = | 866 | nM | -6.062482 | MOAD | ic50=866.0nM | P53779 | c-Jun N-terminal kinase 3 | Cc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)ccn1 | 446.898 | 5.12542 | 100.94 | 5 | 32 | 3 | 5 | 0.395445 |
4w4w | 1.9 | 2,015 | 3HJ | A | 501 | ic50 | = | 6,630 | nM | -5.178486 | MOAD | ic50=6630.0nM | P53779 | c-Jun N-terminal kinase 3 | Cc1cc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4)cn3)c2)ccn1 | 412.453 | 4.47202 | 100.94 | 5 | 31 | 3 | 5 | 0.450049 |
4w4y | 2.3 | 2,015 | 3HQ | A | 501 | ic50 | = | 3,034 | nM | -5.517984 | MOAD | ic50=3034.0nM | P53779 | c-jun NH2-terminal kinase 3 | Cc1ccc(NC(=O)Nc2cnn(-c3cccc(C(=O)Nc4ccnc(C)c4)c3)c2)cc1 | 426.48 | 4.78044 | 100.94 | 5 | 32 | 3 | 5 | 0.427412 |
4w52 | 1.5001 | 2,015 | BNZ | A | 200 | kd | = | 175 | uM | -3.756962 | MOAD | Kd=175.0uM | P00720 | Endolysin | c1ccccc1 | 78.114 | 1.6866 | 0 | 0 | 6 | 0 | 0 | 0.442628 |
4w53 | 1.56 | 2,015 | MBN | A | 200 | kd | = | 102 | uM | -3.9914 | MOAD | Kd=102.0uM | P00720 | Endolysin | Cc1ccccc1 | 92.141 | 1.99502 | 0 | 0 | 7 | 0 | 0 | 0.458806 |
4w54 | 1.7901 | 2,015 | PYJ | A | 200 | kd | = | 68 | uM | -4.167491 | MOAD | Kd=68.0uM | P00720 | Endolysin | CCc1ccccc1 | 106.168 | 2.249 | 0 | 1 | 8 | 0 | 0 | 0.514758 |
4w55 | 1.6401 | 2,015 | 3H0 | A | 200 | kd | = | 18 | uM | -4.744727 | MOAD | Kd=18.0uM | P00720 | Endolysin | CCCc1ccccc1 | 120.195 | 2.6391 | 0 | 2 | 9 | 0 | 0 | 0.562492 |
4w57 | 1.6801 | 2,015 | N4B | A | 200 | kd | = | 14 | uM | -4.853872 | MOAD | Kd=14.0uM | P00720 | Endolysin | CCCCc1ccccc1 | 134.222 | 3.0292 | 0 | 3 | 10 | 0 | 0 | 0.595731 |
4w5i | 1.95 | 2,015 | 3GX | A | 1204 | ic50 | = | 97 | nM | -7.013228 | MOAD | ic50=97.0nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | CN1CCCc2c1cc(-c1ccccc1)[nH]c2=O | 240.306 | 2.4243 | 36.1 | 1 | 18 | 1 | 2 | 0.830667 |
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