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O43353 | RIPK2_HUMAN | Receptor-interacting serine/threonine-protein kinase 2 (RIPK2)

3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // CARD ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL4531690 OBDepict Cl O N N N O N H IC50 = 0.011 nM 330.78 Clc1cc2cc(c1)-c1cnn3ccc(nc13)NCCOCCO2 Homo sapiens CHEMBL4481511 cell-based format
CHEMBL4293287 OBDepict CH 3 O S N O O H 3 C CH 3 H 3 C N H N N H 3 C H H 3 C IC50 = 1.3 nM 388.49 COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4269598 assay format
CHEMBL4282034 OBDepict CH 3 O S N O O H 3 C CH 3 H 3 C N H N N H 3 C H H 3 C IC50 = 1.6 nM 402.52 CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4269598 assay format
CHEMBL4176853 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C Cl N H O H 3 C IC50 = 2.0 nM 435.93 COc1cc2ncc(-c3cc(Cl)cc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4289904 OBDepict OH O S N O O H 3 C CH 3 H 3 C N H N N H 3 C H H 3 C IC50 = 2.5 nM 418.52 Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(S(=O)(=O)C(C)(C)C)cc23)c1C Homo sapiens CHEMBL4269598 assay format
CHEMBL4292228 OBDepict CH 3 O O S N O O H 3 C CH 3 H 3 C N H N N H 3 C H H 3 C IC50 = 2.5 nM 432.55 COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4269598 assay format
CHEMBL4285837 OBDepict CH 3 S N O O H 3 C CH 3 H 3 C N H N N H 3 C H H 3 C IC50 = 2.5 nM 386.52 CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4269598 assay format
CHEMBL4171924 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C H 2 N N F IC50 = 3.0 nM 392.46 CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4161327 OBDepict CH 3 O S N N O O H 3 C H 3 C H 2 N N F IC50 = 3.0 nM 378.43 CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL237347 OBDepict HO N H CH 3 N S O O CH 3 IC50 = 3.0 nM 328.39 Cc1ccc(O)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12 Homo sapiens CHEMBL3825637 assay format
CHEMBL939 OBDepict CH 3 O O N N HN N Cl O F IC50 = 3.8 nM 446.91 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL3888892 cell-based format
CHEMBL4473105 OBDepict H 3 C O S N O O CH 3 CH 3 H 3 C N N H N S IC50 = 4.0 nM 428.54 COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4367435 single protein format
CHEMBL4173493 OBDepict CH 3 O O S N N O O H 3 C CH 3 H 3 C H 2 N N Cl IC50 = 5.0 nM 438.94 COCCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4160817 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C Cl HO IC50 = 5.0 nM 394.88 COc1cc2ncc(-c3ccc(O)c(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4514780 OBDepict HO O S N O O CH 3 CH 3 CH 3 N NH N S IC50 = 5.0 nM 458.57 CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Homo sapiens CHEMBL4367435 single protein format
CHEMBL3823499 OBDepict F N N H N H N S O O H 3 C CH 3 H 3 C IC50 = 5.0 nM 398.46 CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Homo sapiens CHEMBL3825637 assay format
CHEMBL4161723 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C H 2 N N Cl IC50 = 5.0 nM 408.91 CCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4847211 OBDepict CH 3 N H 3 C O N H N N N O CH 3 H 3 C Cl Cl IC50 = 5.0 nM 554.52 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC(C)C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4873767 OBDepict Cl OH N H N IC50 = 6.0 nM 346.82 Oc1cc(Nc2ccnc3cc(-c4ccccc4)ccc23)ccc1Cl Homo sapiens CHEMBL4829097 single protein format
CHEMBL4864600 OBDepict Cl Cl O N CH 3 N N N H S O O H 3 C IC50 = 6.0 nM 475.36 Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4166239 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C H 2 N N Cl IC50 = 6.0 nM 394.88 COc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4281602 OBDepict H N N H 3 C N H CH 3 N S O O O H 3 C CH 3 H 3 C F F F IC50 = 6.3 nM 442.46 Cc1[nH]nc(Nc2ccnc3cc(OC(F)(F)F)c(S(=O)(=O)C(C)(C)C)cc23)c1C Homo sapiens CHEMBL4269598 assay format
CHEMBL4285462 OBDepict H N N H 3 C N H H 3 C N S O O H 3 C CH 3 H 3 C IC50 = 6.3 nM 358.47 Cc1[nH]nc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)c1C Homo sapiens CHEMBL4269598 assay format
CHEMBL3822791 OBDepict CH 3 S O O N N H N S IC50 = 6.3 nM 355.44 CS(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1 Homo sapiens CHEMBL3825637 assay format
CHEMBL1171837 OBDepict H 3 C N N F F F N H O CH 3 N N N IC50 = 6.7 nM 532.57 Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4185506 cell-based format
CHEMBL4170048 OBDepict H 3 C O CH 3 S N N O O H 3 C CH 3 H 3 C H 2 N N Cl IC50 = 7.0 nM 422.94 CC(C)Oc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4159424 OBDepict H 2 N N Cl N N S O O O CH 3 CH 3 CH 3 F F F IC50 = 7.0 nM 462.88 CC(C)(C)S(=O)(=O)c1cn2c(-c3cc(N)nc(Cl)c3)cnc2cc1OCC(F)(F)F Homo sapiens CHEMBL4135584 single protein format
CHEMBL4861488 OBDepict Cl O N CH 3 N N N H S O O H 3 C IC50 = 8.0 nM 440.91 Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4162788 OBDepict CH 3 N N O S N N O O H 3 C CH 3 H 3 C H 2 N N Cl IC50 = 8.0 nM 507.06 CN1CCN(CCOc2cc3ncc(-c4cc(N)nc(Cl)c4)n3cc2S(=O)(=O)C(C)(C)C)CC1 Homo sapiens CHEMBL4135584 single protein format
CHEMBL3822938 OBDepict OH N H H 3 C N F F F IC50 = 8.0 nM 318.3 Cc1ccc(O)cc1Nc1ccnc2ccc(C(F)(F)F)cc12 Homo sapiens CHEMBL3825637 assay format
CHEMBL4164217 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C HO Cl IC50 = 9.0 nM 394.88 COc1cc2ncc(-c3cc(O)cc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl Ki < 10.0 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL4312064 assay format
CHEMBL4795029 OBDepict O NH S N NH N S IC50 <= 10.0 nM 420.56 C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOCC2)NC1 Homo sapiens CHEMBL4672975 single protein format
CHEMBL4792570 OBDepict CH 3 HN S N NH F N S IC50 <= 10.0 nM 384.51 CC1NCCC1c1cc2c(Nc3cc4ncsc4cc3F)ccnc2s1 Homo sapiens CHEMBL4672975 single protein format
CHEMBL4797604 OBDepict CH 3 N H S N HN N S IC50 <= 10.0 nM 378.53 CC1NCCC=C1c1cc2c(Nc3ccc4scnc4c3)ccnc2s1 Homo sapiens CHEMBL4672975 single protein format
CHEMBL4758780 OBDepict NH S O N HN N S IC50 <= 10.0 nM 406.54 C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C2(CCOC2)NC1 Homo sapiens CHEMBL4672975 single protein format
CHEMBL4763647 OBDepict CH 3 N H 3 C S N NH F N S IC50 <= 10.0 nM 412.56 CC1C(c2cc3c(Nc4ccc5scnc5c4)c(F)cnc3s2)CCCN1C Homo sapiens CHEMBL4672975 single protein format
CHEMBL237345 OBDepict OH HN CH 3 N N IC50 = 10.0 nM 327.39 Cc1ccc(O)cc1Nc1ccnc2ccc(-c3cccnc3)cc12 Homo sapiens CHEMBL3825637 assay format
CHEMBL3822577 OBDepict F N N H N H N S O O H 3 C H 3 C IC50 = 10.0 nM 384.44 CC(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Homo sapiens CHEMBL3825637 assay format
CHEMBL4758737 OBDepict NH S N NH N S IC50 <= 10.0 nM 378.53 C1=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCNCC1 Homo sapiens CHEMBL4672975 single protein format
CHEMBL136244 OBDepict CH 3 N H 3 C O N H N N N CH 3 O IC50 = 10.5 nM 443.55 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4861447 OBDepict CH 3 O O N H 3 C N N N H S O O CH 3 IC50 = 11.0 nM 436.49 COc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4168738 OBDepict CH 3 O HO N N S O O O H 3 C CH 3 H 3 C CH 3 IC50 = 11.0 nM 390.46 COc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)ccc1O Homo sapiens CHEMBL4135584 single protein format
CHEMBL4799077 OBDepict H 3 C S NH O O O CH 3 F NH 2 N N HN IC50 = 11.0 nM 499.61 CCCS(=O)(=O)Nc1cc(-c2cc(-c3cccc(N4CCNCC4)c3)cnc2N)cc(F)c1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL4852860 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl IC50 = 13.0 nM 478.0 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL49120 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl Cl IC50 = 13.0 nM 512.44 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4781705 OBDepict CH 3 O N H S O O CH 3 H 3 C NH 2 N N HN IC50 = 13.0 nM 481.62 COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771083 single protein format
CHEMBL4800115 OBDepict H 3 C S N H O O O H 3 C NH 2 N N N H IC50 = 14.0 nM 481.62 CCCS(=O)(=O)Nc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771083 single protein format
CHEMBL4868894 OBDepict Cl Cl O N CH 3 N N N H S O O CH 3 IC50 = 14.0 nM 475.36 Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4864714 OBDepict Cl O N CH 3 N N N H S O O H 3 C IC50 = 14.6 nM 440.91 Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4875011 OBDepict CH 3 Cl O N H 3 C N N N H S O O H 3 C IC50 = 15.0 nM 454.94 Cc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)c(Cl)c1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4876135 OBDepict N HN N S IC50 = 16.0 nM 353.45 c1ccc(-c2ccc3c(Nc4ccc5scnc5c4)ccnc3c2)cc1 Homo sapiens CHEMBL4829097 single protein format
CHEMBL4849134 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl Cl IC50 = 16.0 nM 512.44 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4867467 OBDepict OH O N CH 3 N N N H S O O H 3 C IC50 = 16.0 nM 422.47 Cn1c(=O)c(-c2ccc(O)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4789724 OBDepict CH 3 S N H O O O H 3 C F H 2 N N N NH IC50 = 16.0 nM 499.61 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL10 OBDepict F N N H N + S H 3 C _ O IC50 = 16.0 nM 377.44 C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 Homo sapiens CHEMBL830019 single protein format
CHEMBL4163484 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C HO IC50 = 16.0 nM 360.44 COc1cc2ncc(-c3ccc(O)cc3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4853179 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl IC50 = 17.0 nM 478.0 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4867716 OBDepict F Cl O N CH 3 N N N H S O O H 3 C IC50 = 17.0 nM 458.9 Cn1c(=O)c(-c2ccc(F)cc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4792496 OBDepict H 3 C O CH 3 N H S O O CH 3 H 3 C NH 2 N N HN IC50 = 18.0 nM 509.68 CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771083 single protein format
CHEMBL406845 OBDepict Cl N N H 2 N N N H 3 C H 3 C CH 3 IC50 = 19.0 nM 301.78 CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21 Homo sapiens CHEMBL1051329 single protein format
CHEMBL3824056 OBDepict HO HN CH 3 N N H O O IC50 = 20.0 nM 391.47 Cc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NCC3CCOCC3)cc12 Homo sapiens CHEMBL3825637 assay format
CHEMBL4781373 OBDepict CH 3 S N H O O O H 3 C O H 3 C H 2 N N N NH IC50 = 20.0 nM 511.65 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL4167668 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C N N H IC50 = 20.0 nM 384.46 COc1cc2ncc(-c3ccc4[nH]ncc4c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4795976 OBDepict CH 3 O N H S O O H 3 C CH 3 H 2 N N N NH IC50 = 21.0 nM 495.65 CCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771083 single protein format
CHEMBL4852513 OBDepict CH 3 N H 3 C O N H N N N CH 3 O O H 3 C IC50 = 21.0 nM 473.58 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4858463 OBDepict CH 3 N H 3 C O N H N N N O Cl Cl IC50 = 21.0 nM 588.54 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4793153 OBDepict CH 3 S N H O O O H 3 C Cl H 2 N N N NH IC50 = 21.0 nM 516.07 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(Cl)c1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL4171039 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C N H O H 3 C IC50 = 21.0 nM 401.49 COc1cc2ncc(-c3cccc(NC(C)=O)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4853711 OBDepict Cl Cl O N H 3 C N N N H S O O CH 3 IC50 = 22.0 nM 475.36 Cn1c(=O)c(-c2cc(Cl)ccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4776631 OBDepict H 3 C O N H S O O NH 2 N N N H IC50 = 23.0 nM 515.64 COc1cc(NS(=O)(=O)c2ccccc2)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771083 single protein format
CHEMBL4162913 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C N H O CH 3 IC50 = 24.0 nM 401.49 COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4870434 OBDepict CH 3 N H 3 C O N H N N N CH 3 O HO IC50 = 25.0 nM 459.55 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(O)cc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4475766 OBDepict H 2 N O N N H N N S IC50 = 25.0 nM 327.41 NC(=O)c1c(-c2ccc3scnc3c2)nn2c1NCCCCC2 Homo sapiens CHEMBL4316520 assay format
CHEMBL306380 OBDepict CH 3 N N NH 2 N N CH 3 CH 3 H 3 C IC50 = 26.0 nM 281.36 Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1 Homo sapiens CHEMBL1051329 single protein format
CHEMBL97771 OBDepict CH 3 O O CH 3 N N H N O IC50 = 26.0 nM 373.41 COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC Homo sapiens CHEMBL1051329 single protein format
CHEMBL4782505 OBDepict H 3 C S NH O O O CH 3 F N N HN IC50 = 27.0 nM 484.6 CCCS(=O)(=O)Nc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)cc(F)c1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL4859351 OBDepict Cl Cl O N CH 3 N N N H S O O H 3 C IC50 = 27.0 nM 475.36 Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4173646 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C N H 2 N IC50 = 29.0 nM 360.44 COc1cc2ncc(-c3ccnc(N)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4527824 OBDepict H 2 N O N N H N H N H HO H S IC50 = 30.0 nM 355.42 NC(=O)c1c(-c2ccc3scnc3c2)nn2c1N[C@H]1C[C@H](C[C@@H]1O)C2 Homo sapiens CHEMBL4316520 assay format
CHEMBL4786742 OBDepict CH 3 S N H O O O H 3 C H 2 N N N NH IC50 = 32.0 nM 481.62 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL4847571 OBDepict Cl Cl O N H 3 C N N N H S O O CH 3 IC50 = 34.0 nM 475.36 Cn1c(=O)c(-c2cccc(Cl)c2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815729 single protein format
CHEMBL4174187 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C HO IC50 = 35.0 nM 360.44 COc1cc2ncc(-c3cccc(O)c3)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4170854 OBDepict CH 3 O S N N O O H 3 C CH 3 H 3 C O O CH 3 IC50 = 38.0 nM 402.47 COc1cc2ncc(C(=O)Oc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C Homo sapiens CHEMBL4135584 single protein format
CHEMBL4781201 OBDepict CH 3 O F O CH 3 H 2 N N N NH IC50 = 39.0 nM 408.48 COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL4160116 OBDepict H 3 C O N N S O O O H 3 C CH 3 H 3 C CH 3 IC50 = 40.0 nM 374.46 COc1cccc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)c1 Homo sapiens CHEMBL4135584 single protein format
CHEMBL4437124 OBDepict NH 2 O N NH 2 N H 3 C H 3 C CH 3 N S IC50 = 40.0 nM 315.4 CC(C)(C)n1nc(-c2ccc3scnc3c2)c(C(N)=O)c1N Homo sapiens CHEMBL4316520 assay format
CHEMBL2011291 OBDepict F N NH 2 N N Cl Cl Cl IC50 = 41.0 nM 433.7 Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl Homo sapiens CHEMBL3888892 cell-based format
CHEMBL4788375 OBDepict CH 3 S N H O O O H 3 C H 3 C H 2 N N N NH IC50 = 41.0 nM 495.65 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1OC Homo sapiens CHEMBL4771083 single protein format
CHEMBL2364611 OBDepict CH 3 N N N N O NH 2 IC50 = 44.0 nM 369.43 Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1 Homo sapiens CHEMBL3270794 single protein format
CHEMBL4172092 OBDepict H 3 C O Cl N N S O O O H 3 C CH 3 H 3 C CH 3 IC50 = 45.0 nM 408.91 COc1cc(Cl)cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)c1 Homo sapiens CHEMBL4135584 single protein format
CHEMBL4561931 OBDepict CH 3 N N NH 2 O H 2 N N S IC50 = 50.0 nM 287.35 CCn1nc(-c2ccc3scnc3c2)c(C(N)=O)c1N Homo sapiens CHEMBL4316520 assay format
CHEMBL3822754 OBDepict F N N H N H N S O O CH 3 IC50 = 50.0 nM 356.38 CS(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Homo sapiens CHEMBL3825637 assay format
CHEMBL3823809 OBDepict H N N N N H N S O O CH 3 IC50 = 50.0 nM 339.38 CS(=O)(=O)c1ccc2nccc(Nc3ccc4[nH]nnc4c3)c2c1 Homo sapiens CHEMBL3825637 assay format
CHEMBL4551566 OBDepict H 2 N O N N H N H N H S IC50 = 50.0 nM 339.42 NC(=O)c1c(-c2ccc3scnc3c2)nn2c1N[C@@H]1CC[C@@H](C1)C2 Homo sapiens CHEMBL4316520 assay format
CHEMBL4784430 OBDepict CH 3 O N H S O O CH 3 NH 2 N N HN IC50 = 51.0 nM 453.57 COc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771083 single protein format
CHEMBL4786295 OBDepict CH 3 S N H O O HO H 2 N N N NH IC50 = 54.0 nM 467.6 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1O Homo sapiens CHEMBL4771083 single protein format
CHEMBL3260567 OBDepict H 3 C N N H N N H N N N F IC50 = 54.0 nM 399.43 Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1 Homo sapiens CHEMBL3270794 single protein format
CHEMBL4169652 OBDepict H 2 N N Cl N N S O O O CH 3 CH 3 CH 3 IC50 = 58.0 nM 420.92 CC(C)(C)S(=O)(=O)c1cn2c(-c3cc(N)nc(Cl)c3)cnc2cc1OC1CC1 Homo sapiens CHEMBL4135584 single protein format
CHEMBL4535795 OBDepict NH 2 O N N H N N S IC50 = 60.0 nM 313.39 NC(=O)c1c(-c2ccc3scnc3c2)nn2c1NCCCC2 Homo sapiens CHEMBL4316520 assay format