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Q16832 | DDR2_HUMAN | Discoidin domain-containing receptor 2 (DDR2)

3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // F5_F8_type_C ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4062877 OBDepict OH HN H N HO F N H 3 C N H IC50 = 0.8 nM 454.51 Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(F)ccc3O)cc12 Homo sapiens CHEMBL4018633 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 1.19 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328385 single protein format
CHEMBL4443643 OBDepict H 3 C CH 3 N H O CH 3 N H N IC50 = 1.2 nM 369.47 Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4448547 OBDepict O NH CH 3 F F F N H N IC50 = 1.5 nM 395.38 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL2403875 OBDepict O NH N H N N N H H 3 C H 3 C CH 3 NH 2 N N IC50 = 2.0 nM 492.59 CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(-c2cccc(N)c2)n1 Homo sapiens CHEMBL3265735 single protein format
CHEMBL4535267 OBDepict CH 3 N N N N H CH 3 N H O F F F IC50 = 2.6 nM 489.5 CCn1cc(-c2n[nH]c3cc(-c4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)ccc23)cn1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4559322 OBDepict CH 3 NH O N H N N N F F F N O IC50 = 2.6 nM 574.61 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(CCN4CCOCC4)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4466555 OBDepict O N H N N CH 3 N N H HN O Cl F F F IC50 = 2.6 nM 514.9 Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ncnc3[nH]cnc23)CC1 Homo sapiens CHEMBL4331421 single protein format
CHEMBL1688860 OBDepict CH 3 N H 3 C N H O F F F H O N NH O IC50 = 2.6 nM 538.57 CN(C)Cc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1693589 single protein format
CHEMBL4525313 OBDepict N CH 3 CH 3 N H O CH 3 N H N IC50 = 2.7 nM 394.48 Cc1ccc(C(=O)Nc2cccc(C(C)(C)C#N)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4460782 OBDepict O N H 3 C H 3 C N N N N H H 3 C NH O F F F IC50 = 2.7 nM 546.55 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(CC(=O)N(C)C)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4572126 OBDepict OH N N N N H H 3 C NH O F F F IC50 = 2.9 nM 505.5 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(CCO)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL2403816 OBDepict O NH N H N N H 3 C H 3 C CH 3 N H NH 2 N N IC50 = 3.0 nM 492.59 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(-c2cccc(N)c2)n1 Homo sapiens CHEMBL3265735 single protein format
CHEMBL4161036 OBDepict H 3 C N N N H F F F O CH 3 N N N IC50 = 3.1 nM 532.57 Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4151609 single protein format
CHEMBL4449358 OBDepict H 3 C N N N N H CH 3 HN O F F F IC50 = 3.2 nM 503.53 CCCn1cc(-c2n[nH]c3cc(-c4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)ccc23)cn1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4534119 OBDepict CH 3 NH O N H N N N F F F IC50 = 3.2 nM 501.51 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C4CC4)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL3608786 OBDepict O NH N H F NH CH 3 O N N IC50 = 3.3 nM 417.44 Cc1ccc(CNC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Homo sapiens CHEMBL3610834 single protein format
CHEMBL4538678 OBDepict OH N N N H F F F O H 3 C N H N IC50 = 3.4 nM 537.59 Cc1ccc(C(=O)Nc2cc(CN3CCN(CCO)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4458216 OBDepict CH 3 HO N N N N H H 3 C NH O F F F IC50 = 3.7 nM 519.53 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(CC(C)O)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4437449 OBDepict H 3 C N N N N N H H 3 C NH O F F F IC50 = 3.8 nM 558.61 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C4CCN(C)CC4)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4521671 OBDepict H 3 C N N N H F F F O CH 3 N H N IC50 = 3.9 nM 521.59 CCN1CCN(Cc2cc(NC(=O)c3ccc(C)c(-c4ccc5cn[nH]c5c4)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4524697 OBDepict H 3 C N N N N H H 3 C NH O F F F IC50 = 4.4 nM 475.47 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL3608789 OBDepict O N H NH CH 3 H F NH CH 3 O N N IC50 = 4.5 nM 431.47 Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 Homo sapiens CHEMBL3610834 single protein format
CHEMBL4546339 OBDepict H 3 C N N N N H H 3 C HN O F F F IC50 = 4.56 nM 465.48 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(-c2ccn(C)n2)c1 Homo sapiens CHEMBL4338772 cell-based format
CHEMBL4569749 OBDepict CH 3 N N N H F F F O CH 3 N H N IC50 = 4.7 nM 507.56 Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4439970 OBDepict O N H N H CH 3 F F F N O NH 2 IC50 = 4.79 nM 428.41 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(C(N)=O)c1 Homo sapiens CHEMBL4338772 cell-based format
CHEMBL3969260 OBDepict Cl N H N HN H 3 C O S N N H 2 N IC50 = 5.0 nM 460.95 Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Homo sapiens CHEMBL3887353 single protein format
CHEMBL4580357 OBDepict CH 3 NH O N H N N N F F F O IC50 = 5.2 nM 545.56 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C4CCCCO4)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL255863 OBDepict CH 3 N N HN F F F O N H H 3 C N N N IC50 = 5.2 nM 529.53 Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL1251490 cell-based format
CHEMBL4551450 OBDepict O N H F F F H 3 C N H N IC50 = 5.5 nM 395.38 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL3608790 OBDepict CH 3 N H O NH H 3 C H N N O F F F IC50 = 5.8 nM 466.46 Cc1ccc([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2ccccn12 Homo sapiens CHEMBL3610834 single protein format
CHEMBL3422262 OBDepict H 3 C N CH 3 O HN Cl CH 3 N H O CH 3 O N N H O CH 3 IC50 = 6.0 nM 526.04 CC(=O)Nc1cc(Oc2ccc(CNC(=O)Nc3cc(C)c(Cl)cc3OCCN(C)C)cc2C)ccn1 Homo sapiens CHEMBL3424215 cell-based format
CHEMBL3608791 OBDepict F N O N H H 3 C H N H CH 3 O N N IC50 = 6.1 nM 429.46 Cc1ccc([C@H](C)Nc2nc3cc(F)ccc3o2)cc1NC(=O)c1cnc2ccccn12 Homo sapiens CHEMBL3610834 single protein format
CHEMBL4459160 OBDepict H 3 C HN O N H N N N F F F O IC50 = 6.2 nM 531.54 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C4CCOC4)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4467046 OBDepict H 3 C N N N N H H 3 C NH O F F F IC50 = 6.2 nM 583.66 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(CN4CCN(C)CC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4467377 OBDepict CH 3 O N N H CH 3 N H O F F F IC50 = 6.36 nM 415.42 COc1cncc(CNc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1 Homo sapiens CHEMBL4338772 cell-based format
CHEMBL4456231 OBDepict H 3 C N N O N N H H 3 C NH O F F F IC50 = 6.5 nM 597.64 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4468582 OBDepict H 3 C N N N H O CH 3 N H N IC50 = 6.7 nM 439.56 Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL1336 OBDepict CH 3 NH O N O N H NH O Cl F F F IC50 = 7.0 nM 464.83 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 Homo sapiens CHEMBL3265735 single protein format
CHEMBL4175086 OBDepict CH 3 NH O N N N N F F F N H 3 C IC50 = 7.0 nM 546.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4151609 single protein format
CHEMBL4565181 OBDepict O N H CH 3 N F F F N H N N IC50 = 7.0 nM 561.65 Cc1ccc(C(=O)Nc2cc(CN3CCN(C4CCCC4)CC3)cc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL1688861 OBDepict O HN N O H N H O H 2 N CH 3 CH 3 F F F IC50 = 7.0 nM 538.57 CC(C)(N)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL1693589 single protein format
CHEMBL4539920 OBDepict H 3 C N N N N H F NH O O F F F IC50 = 7.39 nM 485.44 Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1 Homo sapiens CHEMBL4338772 cell-based format
CHEMBL4590244 OBDepict CH 3 NH O N H N N N F F F CH 3 H 3 C IC50 = 7.7 nM 503.53 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(C(C)C)c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4446210 OBDepict O HN H 3 C N F F F H N IC50 = 8.0 nM 409.41 Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL344800 OBDepict O NH N H N N H 3 C H 3 C CH 3 O NH 2 N O IC50 = 8.0 nM 528.66 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2cccc(N)c2)n1 Homo sapiens CHEMBL3265735 single protein format
CHEMBL3608787 OBDepict O N H NH CH 3 H NH CH 3 O N N IC50 = 8.1 nM 413.48 Cc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Homo sapiens CHEMBL3610834 single protein format
CHEMBL3608785 OBDepict O NH N H NH CH 3 O N N IC50 = 8.2 nM 399.45 Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Homo sapiens CHEMBL3610834 single protein format
CHEMBL4549057 OBDepict H 3 C N N N N H H 3 C NH O F F F IC50 = 8.8 nM 569.63 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4441502 OBDepict O N H F F F Cl N H N IC50 = 9.5 nM 415.8 O=C(Nc1ccc(Cl)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL3944137 OBDepict CH 3 O NH N N H H 3 C O S N N H 2 N IC50 = 10.0 nM 468.54 CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1 Homo sapiens CHEMBL3887353 single protein format
CHEMBL4171640 OBDepict CH 3 NH O N N N F F F N H 3 C IC50 = 10.4 nM 545.61 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12 Homo sapiens CHEMBL4151609 single protein format
CHEMBL4447700 OBDepict O N H NH CH 3 F F F N IC50 = 10.6 nM 385.39 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cccnc1 Homo sapiens CHEMBL4338772 cell-based format
CHEMBL4584937 OBDepict CH 3 N H NH O N N H F F F IC50 = 11.0 nM 450.46 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(-c2ccc[nH]2)c1 Homo sapiens CHEMBL4338772 cell-based format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 = 11.7 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL4164448 OBDepict CH 3 NH O N N N N F F F N H 3 C IC50 = 13.1 nM 546.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4151609 single protein format
CHEMBL3422260 OBDepict O NH N H O N H 3 C F F F O N N H HN O IC50 = 15.0 nM 488.43 Cn1cc(C(F)(F)F)cc(NC(=O)NCc2ccc(Oc3ccnc4c3CNC(=O)N4)cc2)c1=O Homo sapiens CHEMBL3424215 cell-based format
CHEMBL2311806 OBDepict CH 3 HN N O N CH 3 N H H 3 C N N N IC50 = 17.22 nM 475.56 Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1 Homo sapiens CHEMBL2319494 single protein format
CHEMBL552425 OBDepict O N H HN H 3 C F F F N O NH 2 IC50 = 18.6 nM 414.39 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1 Homo sapiens CHEMBL4338769 assay format
CHEMBL1738943 OBDepict O N H N H N S N N H 3 C H 3 C CH 3 O CH 3 N IC50 = 19.0 nM 490.63 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2nc(CCOCc3ccncc3)cs2)cc1 Homo sapiens CHEMBL3265735 single protein format
CHEMBL3422261 OBDepict CH 3 NH O N O N H N H O O F F F HN IC50 = 20.0 nM 543.55 CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(C(F)(F)F)ccc3OC3CCNCC3)cc2)ccn1 Homo sapiens CHEMBL3424215 cell-based format
CHEMBL4168305 OBDepict CH 3 N N N H F F F O H 3 C CH 3 N N N IC50 = 20.4 nM 560.62 CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4151609 single protein format
CHEMBL4454757 OBDepict CH 3 NH O N H N F F F N O IC50 = 21.6 nM 556.59 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(N4CCOCC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL253969 OBDepict O N H N H S N O H 2 N O N F F Br IC50 = 24.0 nM 532.41 NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1 Homo sapiens CHEMBL3265735 single protein format
CHEMBL3261118 OBDepict H 3 C N H O N N N H H 3 C H 3 C CH 3 N H O O N O IC50 = 29.0 nM 584.72 CCC(=O)Nc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c1 Homo sapiens CHEMBL3265735 single protein format
CHEMBL3422259 OBDepict CH 3 NH O N O CH 3 N H N H O O Cl H 3 C IC50 = 30.0 nM 454.91 CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(Cl)ccc3OC)cc2C)ccn1 Homo sapiens CHEMBL3424215 cell-based format
CHEMBL4167877 OBDepict CH 3 NH O N N CH 3 CH 3 N F F F N H 3 C IC50 = 34.1 nM 523.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(C)n1C Homo sapiens CHEMBL4151609 single protein format
CHEMBL2336009 OBDepict H 3 C N N N H CH 3 O CH 3 N N N IC50 = 37.1 nM 478.6 Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL4176145 OBDepict CH 3 N N N H F F F O N N N IC50 = 40.2 nM 558.61 CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(C#Cc4cnc5cnccn45)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL4151609 single protein format
CHEMBL3977543 OBDepict H 3 C N H O N N H S N F N H 2 N Cl IC50 = 44.0 nM 478.94 Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12 Homo sapiens CHEMBL3887353 single protein format
CHEMBL4483465 OBDepict CH 3 N H NH O N N H H 3 C F F F IC50 = 44.1 nM 464.49 Cc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1NCc1cncc(-c2ccc[nH]2)c1 Homo sapiens CHEMBL4338772 cell-based format
CHEMBL4164030 OBDepict CH 3 NH O N N NH 2 N F F F N H 3 C IC50 = 45.3 nM 522.58 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1 Homo sapiens CHEMBL4151609 single protein format
CHEMBL4172767 OBDepict CH 3 N N N H F F F O H 3 C CH 3 N N N IC50 = 47.4 nM 560.62 CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4151609 single protein format
CHEMBL477772 OBDepict H 3 C N N N N NH N CH 3 CH 3 S H 3 C O O NH 2 IC50 = 50.0 nM 437.53 Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O Homo sapiens CHEMBL3265735 single protein format
CHEMBL4793380 OBDepict O NH N H N O H 3 C H 3 C CH 3 N H N O N HN IC50 = 55.0 nM 423.48 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 Homo sapiens CHEMBL4767024 single protein format
CHEMBL4534609 OBDepict H N N N N H H 3 C NH O F F F IC50 = 55.6 nM 461.45 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cn[nH]c3)n[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL103667 OBDepict O HN N H N N CH 3 CH 3 CH 3 O H 3 C N O IC50 = 60.0 nM 527.67 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 Homo sapiens CHEMBL1932839 single protein format
CHEMBL4101411 OBDepict O N H N H N O CH 3 CH 3 H 3 C N N N N NH 2 O N O IC50 = 61.0 nM 597.68 CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1 Homo sapiens CHEMBL4031419 assay format
CHEMBL4167237 OBDepict CH 3 N N N H F F F O H 3 C CH 3 N N IC50 = 61.1 nM 559.64 CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12 Homo sapiens CHEMBL4151609 single protein format
CHEMBL4483816 OBDepict CH 3 N N N CH 3 N H O S N N NH 2 IC50 = 64.0 nM 429.51 Cc1cccc(Cn2nc(C)c3c(NC(=O)c4csc5c(N)ncnc45)cccc32)n1 Homo sapiens CHEMBL4372354 cell-based format
CHEMBL4475050 OBDepict O N H F F F F N H N IC50 = 64.3 nM 399.35 O=C(Nc1ccc(F)c(-c2ccc3cn[nH]c3c2)c1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL4798527 OBDepict H 3 C N H N O N NH 2 N N H CH 3 F F F H HO IC50 = 65.0 nM 548.57 Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 Homo sapiens CHEMBL4766158 single protein format
CHEMBL4473475 OBDepict H 3 C HN O N N N N F F F N CH 3 IC50 = 66.1 nM 598.67 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345301 assay format
CHEMBL4473495 OBDepict CH 3 O N H N O H N F F F IC50 = 67.9 nM 411.38 COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL2336021 OBDepict O NH CH 3 F F F N N N IC50 = 73.84 nM 420.39 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL4473922 OBDepict CH 3 N N N H O CH 3 N H N IC50 = 75.9 nM 439.56 Cc1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1-c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL4412316 single protein format
CHEMBL3261116 OBDepict O NH N H N S N N H 3 C H 3 C CH 3 O O OH F IC50 = 76.0 nM 551.64 CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccc(F)cc3)cs2)n(-c2ccc(CC(=O)O)cc2)n1 Homo sapiens CHEMBL3265736 assay format
CHEMBL518051 OBDepict CH 3 S O O HO O N H N H N S Cl N N H S N IC50 = 82.0 nM 527.05 CS(=O)(=O)O.O=C(Nc1cccc(Cl)c1)Nc1ncc(CCN=c2[nH]cnc3ccsc23)s1 Homo sapiens CHEMBL973569 single protein format
CHEMBL4174682 OBDepict CH 3 N H N N CH 3 NH O N F F F N CH 3 IC50 = 83.1 nM 536.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(NC)nc1 Homo sapiens CHEMBL4151609 single protein format
CHEMBL3954810 OBDepict Cl N H N NH CH 3 O S N N NH 2 IC50 = 93.0 nM 460.95 Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Homo sapiens CHEMBL3887353 single protein format
CHEMBL2336017 OBDepict CH 3 N N N H F F F O N N N IC50 = 93.65 nM 518.54 CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5ccnn5c4)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL4159956 OBDepict CH 3 NH O N N CH 3 N F F F N H 3 C IC50 = 94.2 nM 509.58 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cncn1C Homo sapiens CHEMBL4151609 single protein format
CHEMBL4859179 OBDepict CH 3 HN O N O HN O N O S H 3 C F IC50 = 100.0 nM 478.51 CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(SC)oc3-c3ccc(F)cc3)cc2)ccn1 Homo sapiens CHEMBL4808110 single protein format
CHEMBL2336008 OBDepict CH 3 N N N H F F F O CH 3 N N N IC50 = 100.56 nM 532.57 Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL2336015 OBDepict H 3 C HN O N N N N F F F N CH 3 IC50 = 101.4 nM 546.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL2336010 OBDepict H 3 C N N N H Cl O CH 3 N N N IC50 = 103.0 nM 499.02 Cc1ccc(C(=O)Nc2cc(Cl)cc(CN3CCN(C)CC3)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL2336006 OBDepict CH 3 N H CH 3 O CH 3 N N N IC50 = 116.0 nM 380.45 Cc1cc(C)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 116.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261439 single protein format
CHEMBL2336011 OBDepict CH 3 O N H N O N CH 3 CH 3 N N N IC50 = 125.0 nM 494.6 COc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342536 single protein format
CHEMBL3426225 OBDepict H 3 C N N N N NH 2 CH 3 N H O F F F N N CH 3 IC50 = 128.0 nM 576.63 CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21 Homo sapiens CHEMBL3429879 single protein format