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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5qty | 1.89 | 2,020 | QLJ | A | 301 | ki | = | 2.5 | nM | -8.60206 | MOAD | Ki=2.5nM | P03951 | Coagulation factor XI | CCOC(=O)[C@H]1CCCC[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2N1 | 645.12 | 5.3443 | 162.25 | 7 | 46 | 3 | 11 | 0.176677 |
5qtz | 1.83 | 2,020 | QMY | A | 601 | ic50 | = | 0.001 | uM | -9 | MOAD | ic50=0.001uM | P36897 | TGF-beta receptor type-1 | Cc1cccc(-c2ncn(CC(F)F)c2-c2ccc3nccn3c2)n1 | 339.349 | 3.83332 | 48.01 | 4 | 25 | 0 | 5 | 0.567592 |
5qu0 | 1.67 | 2,020 | QMV | A | 601 | ic50 | = | 0.0016 | uM | -8.79588 | MOAD | ic50=0.0016uM | P36897 | TGF-beta receptor type-1 | N#Cc1cnc2ccc(-c3c(-c4ccc(F)c(Cl)c4)ncn3CCO)nn12 | 382.786 | 2.91628 | 92.03 | 4 | 27 | 1 | 7 | 0.585535 |
5qur | 1.247 | 2,021 | LZ1 | A | 401 | kd | = | 1,000,000 | nM | -3 | BindingDB | Kd=1000000nM | O74036 | RadA | c1ccc2[nH]ncc2c1 | 118.139 | 1.5629 | 28.68 | 0 | 9 | 1 | 1 | 0.558373 |
5qus | 1.247 | 2,021 | LZ1 | A | 401 | kd | = | 1,000,000 | nM | -3 | BindingDB | Kd=1000000nM | O74036 | RadA | c1ccc2[nH]ncc2c1 | 118.139 | 1.5629 | 28.68 | 0 | 9 | 1 | 1 | 0.558373 |
5qut | 1.248 | 2,021 | LZ1 | A | 401 | kd | = | 1,000,000 | nM | -3 | BindingDB | Kd=1000000nM | O74036 | RadA | c1ccc2[nH]ncc2c1 | 118.139 | 1.5629 | 28.68 | 0 | 9 | 1 | 1 | 0.558373 |
5ree | 1.77 | 2,020 | T1M | A | 404 | ic50 | = | 99,000 | nM | -4.004365 | BindingDB | IC50=99000nM | P0DTD1 | 3C-like proteinase | C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccccc1 | 206.309 | 0.6147 | 24.67 | 2 | 15 | 2 | 1 | 0.728099 |
5rfa | 1.52 | 2,020 | JGY | A | 403 | ic50 | = | 99,000 | nM | -4.004365 | BindingDB | IC50=99000nM | P0DTD1 | 3C-like proteinase | Cn1ccc(C(=O)NC[C@@H]2CCCO2)n1 | 209.249 | 0.3289 | 56.15 | 3 | 15 | 1 | 4 | 0.78008 |
5rgv | 1.82 | 2,020 | UGG | A | 1001 | ic50 | = | 45,100 | nM | -4.345823 | BindingDB | IC50=45100nM | P0DTD1 | 3C-like proteinase | O=C(Cc1cncc2ccccc12)Nc1ccccc1 | 262.312 | 3.416 | 41.99 | 3 | 20 | 1 | 2 | 0.785504 |
5rgx | 1.69 | 2,020 | UGP | A | 1001 | ic50 | = | 43,800 | nM | -4.358526 | BindingDB | IC50=43800nM | P0DTD1 | 3C-like proteinase | Cc1ccncc1NC(=O)Cc1cccc(C#N)c1 | 251.289 | 2.4429 | 65.78 | 3 | 19 | 1 | 3 | 0.910692 |
5rh2 | 1.827 | 2,020 | UH7 | A | 1001 | ic50 | = | 13,900 | nM | -4.856985 | BindingDB | IC50=13900nM | P0DTD1 | 3C-like proteinase | Cc1ccncc1NC(=O)Cc1cccc(Cl)c1 | 260.724 | 3.22462 | 41.99 | 3 | 18 | 1 | 2 | 0.920678 |
5rh3 | 1.69 | 2,020 | UHA | A | 1001 | ic50 | = | 26,200 | nM | -4.581699 | BindingDB | IC50=26200nM | P0DTD1 | 3C-like proteinase | Cc1ccncc1NC(=O)[C@H](C)c1cccc(Cl)c1 | 274.751 | 3.78562 | 41.99 | 3 | 19 | 1 | 2 | 0.925267 |
5rhd | 1.57 | 2,020 | US7 | A | 408 | ic50 | = | 83,800 | nM | -4.076756 | BindingDB | IC50=83800nM | P0DTD1 | 3C-like proteinase | CS(=O)(=O)c1ccc(N2CC[NH2+]CC2)cc1 | 241.336 | -0.5265 | 53.99 | 2 | 16 | 1 | 3 | 0.757401 |
5s75 | 1.3 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s75 | 1.3 | 2,021 | LU8 | A | 509 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s75 | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s75 | 1.3 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s76 | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s76 | 1.31 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s76 | 1.31 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s76 | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s77 | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s77 | 1.31 | 2,021 | LU8 | A | 509 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s77 | 1.31 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s77 | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s78 | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s78 | 1.3 | 2,021 | LU8 | A | 506 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s78 | 1.3 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s79 | 1.5 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s79 | 1.5 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s79 | 1.5 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7a | 1.3 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7a | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7a | 1.3 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7a | 1.3 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7b | 1.32 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7b | 1.32 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7b | 1.32 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7b | 1.32 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7c | 1.31 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7c | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7c | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7d | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7d | 1.31 | 2,021 | LU8 | A | 509 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7d | 1.31 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7d | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7e | 1.32 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7e | 1.32 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7f | 1.31 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7f | 1.31 | 2,021 | LU8 | A | 509 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7f | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7f | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7g | 1.78 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7g | 1.78 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7h | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7h | 1.3 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7h | 1.3 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7h | 1.3 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7i | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7i | 1.3 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7i | 1.3 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7i | 1.3 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7j | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7j | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7k | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7k | 1.31 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7k | 1.31 | 2,021 | LU8 | A | 506 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7k | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7l | 1.36 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7l | 1.36 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7l | 1.36 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7m | 1.32 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7m | 1.32 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7n | 1.3 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7n | 1.3 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7n | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7n | 1.3 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7o | 1.43 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7o | 1.43 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7o | 1.43 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7o | 1.43 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7p | 1.31 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7p | 1.31 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7p | 1.31 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7p | 1.31 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7q | 1.53 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7q | 1.53 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7q | 1.53 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7q | 1.53 | 2,021 | LU8 | B | 1802 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7r | 1.46 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7r | 1.46 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7r | 1.46 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7r | 1.46 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7s | 1.3 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7s | 1.3 | 2,021 | LU8 | A | 509 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7s | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7s | 1.3 | 2,021 | LU8 | B | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7t | 1.3 | 2,021 | LU8 | A | 507 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7t | 1.3 | 2,021 | LU8 | A | 501 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
5s7t | 1.3 | 2,021 | LU8 | A | 508 | ic50 | = | 29 | nM | -7.537602 | BindingDB | IC50=29nM | Q04771 | Activin receptor type-1 | COc1cc(-c2cncc(-c3ccc([C@H]4CC[N@H+](C)CC4)cc3)c2C)cc(OC)c1OC | 433.572 | 4.14192 | 45.02 | 6 | 32 | 1 | 4 | 0.634634 |
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