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Q9H244 | P2Y12_HUMAN | P2Y purinoceptor 12 (P2RY12)

3D structures mapped by conservation among orthologs

[ Domain: "Lysozyme-like" // Cytochrom_B562_1 ]

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[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3326907 OBDepict CH 3 O N CH 3 N N H O N H 3 C O HO IC50 = 0.9 nM 458.52 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4ccc(C)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL569914 OBDepict H 3 C O N O N O N H H O N O HO N N O Ki = 1.0 nM 596.69 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL569097 OBDepict CH 3 O N O N O NH H O N O OH N H 3 C CH 3 Ki = 1.0 nM 595.74 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCN(C)C)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL568250 OBDepict CH 3 O N O N O NH H O N O HO NH N O CH 3 Ki = 1.2 nM 584.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL569680 OBDepict CH 3 O N O N O NH H O N N O HO O O CH 3 Ki = 1.2 nM 585.66 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(OCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL569679 OBDepict CH 3 O N O N O NH H O N O HO O N O CH 3 Ki = 1.2 nM 585.66 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL3798413 OBDepict CH 3 S N N N H N N N H H H H OH H H OH N N N H N IC50 = 2.0 nM 494.59 CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2nnn([C@@H]3C[C@H](c4nnn[nH]4)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL3802947 single protein format
CHEMBL601486 OBDepict CH 3 O N O N O NH H O N O HO N O CH 3 Ki = 2.0 nM 595.7 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(OC)C3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064501 cell-based format
CHEMBL592825 OBDepict H 3 C O N O N O NH H O N O OH O N O CH 3 H 3 C Ki = 2.0 nM 583.64 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL570093 OBDepict H 3 C O N O N O N H H O N O HO N N NH Ki = 2.0 nM 595.7 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL590140 OBDepict CH 3 O N O N O N H H O N O OH N CH 3 O CH 3 Ki = 2.1 nM 597.71 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL603147 OBDepict CH 3 O N O N O N H H O N O OH N O CH 3 H 3 C Ki = 2.4 nM 581.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)C)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL604288 OBDepict H 3 C O N O N O N H H O N O HO N H O CH 3 Ki = 2.4 nM 569.66 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL590194 OBDepict H 3 C O N O N O N H H O N O OH N HO Ki = 2.5 nM 581.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064501 cell-based format
CHEMBL566520 OBDepict H 3 C O N O N O N H H O N O OH N N HO Ki = 2.5 nM 582.66 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC(O)C3)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL590746 OBDepict H 3 C O N O N O N H H O N O HO N O CH 3 CH 3 Ki = 2.6 nM 595.7 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)N(C)CC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL590990 OBDepict CH 3 O N O N O NH H O N O OH HO Ki = 2.8 nM 596.73 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCCO)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL3322653 OBDepict CH 3 O N O N O HN H O N O OH N H H O CH 3 IC50 = 3.0 nM 581.67 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@@H]3COC)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3369059 cell-based format
CHEMBL3322652 OBDepict H 3 C O N O N O NH H O N O OH N N H O CH 3 IC50 = 3.0 nM 596.69 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3369059 cell-based format
CHEMBL590364 OBDepict CH 3 O N O N O N H H O N O OH N O Ki = 3.3 nM 581.67 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCOCC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL590741 OBDepict CH 3 O N O N O N H H O N O OH N H 2 N Ki = 3.5 nM 594.71 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(N)CC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL590798 OBDepict CH 3 O N O N O NH H O N O HO OH Ki = 3.6 nM 582.7 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCO)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL592563 OBDepict CH 3 O N O N O N H H O N O OH O N H Ki = 3.7 nM 581.67 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL597150 OBDepict CH 3 O N O N O NH H O N O OH HO Ki = 3.8 nM 568.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCO)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL601704 OBDepict H 3 C O N O N O NH H O N O OH N CH 3 O H 3 C Ki = 4.0 nM 583.69 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N(C)CCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL3288123 OBDepict H 3 C O S N H 3 C N N N H O S O O IC50 = 4.0 nM 526.68 CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)C3(c4ccccc4)CC3)CC2)nc1SC Homo sapiens CHEMBL3291830 cell-based format
CHEMBL570423 OBDepict CH 3 O N O N O NH H O N O OH S N HO Ki = 4.5 nM 587.7 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(SCCO)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL592163 OBDepict H 3 C O N O N O NH H O N O OH O HO Ki = 4.9 nM 584.67 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCCO)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL3325627 OBDepict H 3 C O N H 3 C N N H O N CH 3 O OH H 3 C IC50 = 5.1 nM 472.55 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)O)c4cc(C)c(C)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL568257 OBDepict CH 3 O N O N O NH H O N N O HO NH O CH 3 Ki = 5.2 nM 584.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(NCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL3797316 OBDepict CH 3 O N O N O N H H O N O HO O H 3 C H 3 C O OH CH 3 IC50 = 5.3 nM 558.59 CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(C)(C)C(=O)O)c3ccc(C)cc3n2)CC1 Homo sapiens CHEMBL3802954 single protein format
CHEMBL590328 OBDepict H 3 C O N O N O N H H O N O HO N Ki = 5.5 nM 593.72 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCCCC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL591839 OBDepict CH 3 O N O N O NH H O N O HO O N O CH 3 H 3 C Ki = 5.5 nM 597.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(=O)N(C)C)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL597772 OBDepict CH 3 O N O N O NH H O N O OH NH HO Ki = 5.7 nM 569.66 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCO)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL557553 OBDepict OH O HN H N O O N N H 3 C Ki = 5.7 nM 562.67 Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)n3)CC2)c1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL592531 OBDepict H 3 C O N O N O NH H O N O OH O O H 3 C Ki = 5.9 nM 584.67 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL599634 OBDepict CH 3 N H N S N O NH H O N O O CH 3 CH 3 H 3 C Ki = 6.0 nM 581.78 CCCCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL2419487 OBDepict CH 3 O O CH 3 N N N N H O S O O H 3 C IC50 = 6.0 nM 456.52 CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)C2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL2402255 OBDepict CH 3 O O H 3 C N N N N H N H O S O O S Cl IC50 = 6.3 nM 483.96 CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C Homo sapiens CHEMBL2404825 single protein format
CHEMBL590005 OBDepict H 3 C O N O N O N H H O N O HO N NH Ki = 6.5 nM 594.71 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCNCC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064501 cell-based format
CHEMBL592737 OBDepict H 3 C O N O N O NH H O N O OH O HN Ki = 6.9 nM 595.7 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCCNC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL599637 OBDepict H 3 C O N O N O N H H O N O HO O OH Ki = 6.9 nM 570.64 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCCO)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL2419493 OBDepict CH 3 O O CH 3 N N N N H O S O O H 3 C IC50 = 7.0 nM 484.58 CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(C)cc3)CC2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL3325894 OBDepict H 3 C O N H 3 C N N N H O N Cl N O N H 3 C IC50 = 7.0 nM 568.12 CCCC(=O)c1cnn(C2CCN(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)CC2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL564981 OBDepict CH 3 O N O N O NH H O N O OH Ki = 7.0 nM 538.65 CCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL3326906 OBDepict CH 3 O N CH 3 N N H O N H 3 C O HO IC50 = 7.0 nM 472.55 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CCC(=O)O)c4ccc(C)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL598160 OBDepict CH 3 O N O N O N H H O N O OH O NH 2 Ki = 7.5 nM 553.62 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(N)=O)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL596961 OBDepict CH 3 O N O N O NH H O N O HO O CH 3 Ki = 7.9 nM 554.64 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL604497 OBDepict H 3 C N H N S N O N H H O N O O CH 3 CH 3 H 3 C Ki = 8.0 nM 567.76 CCCCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL590771 OBDepict CH 3 O N O N O NH H O N O OH O H 3 C Ki = 8.3 nM 596.73 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL591367 OBDepict H 3 C O N O N O NH H O N O OH O H 2 N Ki = 8.4 nM 583.69 CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL590856 OBDepict CH 3 O N O N O NH H O N O HO O CH 3 Ki = 8.4 nM 582.7 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(CCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL599397 OBDepict CH 3 O N O N O NH H O N O OH O H 2 N Ki = 8.8 nM 569.66 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCN)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL3322654 OBDepict CH 3 O N O N O HN H O N O OH N H H O CH 3 IC50 = 9.0 nM 581.67 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc([C@H]3C[C@H]3COC)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3369059 cell-based format
CHEMBL599843 OBDepict H 3 C N H N S N O N H H O N O O CH 3 CH 3 H 3 C Ki = 9.0 nM 539.7 CCNC(=S)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cccc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL590262 OBDepict CH 3 O N O N O NH H O N O HO NH O CH 3 Ki = 9.8 nM 583.69 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL2419485 OBDepict CH 3 O O CH 3 N N N N H O S O O Cl IC50 = 10.0 nM 476.94 CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)C2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL2103828 OBDepict CH 3 NH F N H O N O HN HN O S O O S Cl IC50 < 10.0 nM 523.96 CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F Homo sapiens CHEMBL3802953 assay format
CHEMBL566438 OBDepict H 3 C S N N N NH NH O N O O HO Ki = 10.0 nM 558.66 CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 Homo sapiens CHEMBL1050573 cell-based format
CHEMBL552971 OBDepict CH 3 O N O N O NH H O N O HO O O CH 3 Ki = 10.0 nM 584.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL598161 OBDepict CH 3 O N O N O NH H O N O OH HN O CH 3 Ki = 10.0 nM 567.64 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL592650 OBDepict H 3 C O N O N O NH H O N O OH O O Ki = 10.0 nM 596.68 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCOCC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL2419490 OBDepict CH 3 O O CH 3 N N N N H O S O O IC50 = 11.0 nM 470.55 CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3)CC2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL3325802 OBDepict H 3 C O N H 3 C N N H O N Cl N O N HO IC50 = 11.0 nM 591.11 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCO)CC4)c4ccc(Cl)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL2419495 OBDepict CH 3 O O CH 3 N N N N H O S O O F F IC50 = 11.0 nM 506.53 CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3F)CC2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL3322632 OBDepict CH 3 O N O N O N H H O N O OH N S IC50 = 11.0 nM 551.63 CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccsc3)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3369059 cell-based format
CHEMBL589719 OBDepict H 3 C O N O N O NH H O N O OH NH O H 3 C Ki = 11.0 nM 597.71 CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL596750 OBDepict CH 3 O N O N O NH H O N O OH OH Ki = 11.0 nM 526.59 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL569732 OBDepict H 3 C O N O N O NH H O N O OH O N HN Ki = 11.0 nM 596.69 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL560009 OBDepict H 3 C O N O N O HN H O N O HO Ki = 11.0 nM 510.59 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL566309 OBDepict H 3 C O N O N O N H H O N N O HO N O Ki = 11.0 nM 596.69 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2nc(-c3ccccc3)cc(N3CCOCC3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL589737 OBDepict CH 3 O N O N O N H H O N O OH HN O CH 3 Ki = 11.0 nM 595.7 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCCC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL2419486 OBDepict CH 3 O O CH 3 N N N N H O S O O F IC50 = 12.0 nM 460.49 CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL598387 OBDepict CH 3 O N O N O NH H O N O OH NH H 3 C Ki = 12.0 nM 567.69 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(NCCC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL569319 OBDepict H 3 C O N O N O N H H O N O HO O N O CH 3 Ki = 12.0 nM 571.63 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1042521 cell-based format
CHEMBL540672 OBDepict H 3 C O N O N O NH H O N O OH O HN Ki = 12.0 nM 595.7 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCNCC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL590258 OBDepict CH 3 O N O N O N H O N O OH N HO Ki = 13.0 nM 595.7 CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(O)C3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064501 cell-based format
CHEMBL603146 OBDepict CH 3 O N O N O N H H O N O OH HN O H 3 C Ki = 13.0 nM 581.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(C(=O)NCC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL591619 OBDepict H 3 C O N O N O NH H O N O OH O O H 3 C Ki = 14.0 nM 598.7 CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL398435 OBDepict OH O H H OH H N H HO N N N S N N H H CH 3 H F F Ki = 14.0 nM 522.58 CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL2175134 cell-based format
CHEMBL564150 OBDepict CH 3 O N O N O HN H O N O HO Ki = 14.0 nM 552.67 CCCCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cccc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL550278 OBDepict CH 3 O N O N O N H H O N O OH N NH 2 Ki = 14.0 nM 580.69 CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(CN)CC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL3325785 OBDepict H 3 C O N H 3 C N N H O N H 3 C N O H H 3 C H N H OH IC50 = 15.0 nM 596.73 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H]5C[C@@H](O)CN5C[C@@H]4C)c4ccc(C)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL2419491 OBDepict CH 3 O O CH 3 N N N N H O S O O F IC50 = 15.0 nM 488.54 CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)CC2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL599399 OBDepict H NH N O O N O HO N O O Ki = 15.0 nM 508.58 O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCC2CC2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL551484 OBDepict CH 3 O O N N O N H H O N O OH Ki = 15.0 nM 544.61 CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL603866 OBDepict CH 3 O N O N O N H H O N O HO Ki = 15.0 nM 544.61 CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL3322642 OBDepict H 3 C O N O N O NH H O N O OH N N H O CH 3 IC50 = 16.0 nM 568.63 CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL3369059 cell-based format
CHEMBL3325891 OBDepict H 3 C O N H 3 C N N N N H O N Cl N O N H 3 C IC50 = 17.0 nM 563.06 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(Cl)cc34)nn2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL3326903 OBDepict H 3 C O N H 3 C N N H NH O O H 3 C O HO IC50 = 17.0 nM 478.55 CCCC(=O)c1cnn(-c2ccc(NC(=O)Nc3cc(C)ccc3OCCCC(=O)O)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL2419501 OBDepict CH 3 O O CH 3 N N N N H O S O O IC50 = 17.0 nM 442.5 CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C Homo sapiens CHEMBL2423149 cell-based format
CHEMBL596732 OBDepict OH O N H H N O O N N O O F F F Ki = 18.0 nM 550.53 O=C(O)CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCCCC(F)(F)F)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL602294 OBDepict CH 3 O N O N O NH H O N O OH O H 3 C Ki = 18.0 nM 568.67 CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL591593 OBDepict H 3 C O N O N O NH H O N O OH O HO Ki = 18.0 nM 584.67 CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCO)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format
CHEMBL555342 OBDepict H 3 C O N O N O N H H O N O HO O O CH 3 Ki = 18.0 nM 570.64 CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL552973 OBDepict H 3 C O N N HN O H N O O HO N O O CH 3 Ki = 18.0 nM 595.7 CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(N3CCC(COC)CC3)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1060022 cell-based format
CHEMBL3325783 OBDepict CH 3 O N CH 3 N N H O N H 3 C N O N F F IC50 = 19.0 nM 590.68 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CC(F)F)CC4)c4ccc(C)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL3325782 OBDepict H 3 C O N H 3 C N N H O N CH 3 N O N F IC50 = 19.0 nM 572.69 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCF)CC4)c4ccc(C)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL3325660 OBDepict H 3 C O N H 3 C N N H O N CH 3 N O N O H 3 C IC50 = 20.0 nM 584.72 CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(C)cc34)cc2)c1C Homo sapiens CHEMBL3367077 cell-based format
CHEMBL599005 OBDepict H 3 C O N O N O NH H O N O OH OH Ki = 20.0 nM 540.62 CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(O)cc(-c3ccccc3)n2)CC1 Homo sapiens CHEMBL1064897 cell-based format