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Q08345 | DDR1_HUMAN | Epithelial discoidin domain-containing receptor 1 (DDR1)

3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // KOG1094 ]

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[ 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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3969260 OBDepict Cl N H N HN H 3 C O S N N H 2 N IC50 = 2.0 nM 460.95 Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Homo sapiens CHEMBL3887352 single protein format
CHEMBL2336037 OBDepict Cl N H O CH 3 N N N IC50 = 2.29 nM 386.84 Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4161036 OBDepict H 3 C N N N H F F F O CH 3 N N N IC50 = 2.4 nM 532.57 Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4151608 single protein format
CHEMBL4466555 OBDepict O N H N N CH 3 N N H HN O Cl F F F IC50 = 3.0 nM 514.9 Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1NC(=O)C1(c2ncnc3[nH]cnc23)CC1 Homo sapiens CHEMBL4331420 single protein format
CHEMBL4175086 OBDepict CH 3 NH O N N N N F F F N H 3 C IC50 = 3.2 nM 546.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4151608 single protein format
CHEMBL255863 OBDepict CH 3 N N HN F F F O N H H 3 C N N N IC50 = 3.7 nM 529.53 Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL1251491 cell-based format
CHEMBL4164030 OBDepict CH 3 NH O N N NH 2 N F F F N H 3 C IC50 = 3.9 nM 522.58 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1 Homo sapiens CHEMBL4151608 single protein format
CHEMBL4164448 OBDepict CH 3 NH O N N N N F F F N H 3 C IC50 = 3.9 nM 546.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4151608 single protein format
CHEMBL4439970 OBDepict O N H N H CH 3 F F F N O NH 2 IC50 = 3.97 nM 428.41 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(C(N)=O)c1 Homo sapiens CHEMBL4338771 cell-based format
CHEMBL2336040 OBDepict CH 3 O N H O CH 3 N N N IC50 = 4.04 nM 382.42 COc1cccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342537 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 = 4.28 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328384 single protein format
CHEMBL4846921 OBDepict H 3 C N N NH N N S N H S O O CH 3 IC50 = 4.4 nM 508.67 CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)cc2)CC1 Homo sapiens CHEMBL4839024 single protein format
CHEMBL4539920 OBDepict H 3 C N N N N H F NH O O F F F IC50 = 4.67 nM 485.44 Cn1ccc(-c2cncc(CNc3cc(C(=O)Nc4cccc(OC(F)(F)F)c4)ccc3F)c2)n1 Homo sapiens CHEMBL4338771 cell-based format
CHEMBL3797933 OBDepict NH 2 O N N N NH 2 N N IC50 = 4.7 nM 349.4 Nc1nc2cc(-c3nn(CC4CCCC4)c4ncnc(N)c34)ccc2o1 Homo sapiens CHEMBL3801325 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 = 4.8 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL3944137 OBDepict CH 3 O NH N N H H 3 C O S N N H 2 N IC50 = 5.0 nM 468.54 CC(=O)c1ccc(Nc2nccc3c(NC(=O)c4csc5c(N)ncnc45)c(C)ccc23)cc1 Homo sapiens CHEMBL3887352 single protein format
CHEMBL4174682 OBDepict CH 3 N H N N CH 3 NH O N F F F N CH 3 IC50 = 5.0 nM 536.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(NC)nc1 Homo sapiens CHEMBL4151608 single protein format
CHEMBL4794765 OBDepict CH 3 N N F F F N H O H 3 C N N N IC50 = 5.0 nM 532.57 Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL4706036 single protein format
CHEMBL4558430 OBDepict CH 3 N N HN F F F O H N H N N IC50 = 5.6 nM 478.48 Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@H](Nc3cncnc3)C4)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL4407669 assay format
CHEMBL4467377 OBDepict CH 3 O N N H CH 3 N H O F F F IC50 = 5.89 nM 415.42 COc1cncc(CNc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1 Homo sapiens CHEMBL4338771 cell-based format
CHEMBL2331602 OBDepict CH 3 N H O CH 3 N N N IC50 = 5.96 nM 366.42 Cc1cccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL3608787 OBDepict O N H NH CH 3 H NH CH 3 O N N IC50 = 6.0 nM 413.48 Cc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 Homo sapiens CHEMBL3610836 single protein format
CHEMBL2336021 OBDepict O NH CH 3 F F F N N N IC50 = 6.14 nM 420.39 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4171640 OBDepict CH 3 NH O N N N F F F N H 3 C IC50 = 6.2 nM 545.61 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12 Homo sapiens CHEMBL4151608 single protein format
CHEMBL2336006 OBDepict CH 3 N H CH 3 O CH 3 N N N IC50 = 6.34 nM 380.45 Cc1cc(C)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4097012 OBDepict CH 3 N N NH F F F O N H H 3 C N N IC50 = 6.6 nM 538.62 C[C@H]1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCCN(C)CC4)cc(C(F)(F)F)c3)ccc21 Homo sapiens CHEMBL4042995 assay format
CHEMBL2336009 OBDepict H 3 C N N N H CH 3 O CH 3 N N N IC50 = 6.71 nM 478.6 Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336015 OBDepict H 3 C HN O N N N N F F F N CH 3 IC50 = 6.811 nM 546.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336017 OBDepict CH 3 N N N H F F F O N N N IC50 = 7.02 nM 518.54 CN1CCN(Cc2cc(NC(=O)c3cccc(C#Cc4cnc5ccnn5c4)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4167877 OBDepict CH 3 NH O N N CH 3 CH 3 N F F F N H 3 C IC50 = 7.9 nM 523.6 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(C)n1C Homo sapiens CHEMBL4151608 single protein format
CHEMBL4159558 OBDepict CH 3 NH O N N N F F F N H 3 C IC50 = 8.4 nM 507.56 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cncnc1 Homo sapiens CHEMBL4151608 single protein format
CHEMBL4546339 OBDepict H 3 C N N N N H H 3 C HN O F F F IC50 = 8.53 nM 465.48 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(-c2ccn(C)n2)c1 Homo sapiens CHEMBL4338771 cell-based format
CHEMBL4473475 OBDepict H 3 C HN O N N N N F F F N CH 3 IC50 = 8.7 nM 598.67 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL2336008 OBDepict CH 3 N N N H F F F O CH 3 N N N IC50 = 8.93 nM 532.57 Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL3422019 OBDepict H 3 C N N F F F NH O N H CH 3 N O CH 3 N H IC50 = 9.0 nM 580.66 CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(NCc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1 Homo sapiens CHEMBL3424173 cell-based format
CHEMBL4464080 OBDepict CH 3 NH O N N N F F F IC50 = 9.2 nM 472.47 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL4168305 OBDepict CH 3 N N N H F F F O H 3 C CH 3 N N N IC50 = 9.4 nM 560.62 CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12 Homo sapiens CHEMBL4151608 single protein format
CHEMBL1171837 OBDepict H 3 C N N F F F N H O CH 3 N N N IC50 = 9.4 nM 532.57 Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4721787 single protein format
CHEMBL2336024 OBDepict O NH CH 3 N CH 3 H 3 C N N N IC50 = 9.72 nM 395.47 Cc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 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 CHEMBL4312059 assay format
CHEMBL4632409 OBDepict H 3 C O N N H N N N F F F IC50 = 10.0 nM 433.39 Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)noc2c1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4623593 single protein format
CHEMBL2336016 OBDepict H 3 C N N N H F F F O Cl N N N IC50 = 10.05 nM 552.99 CN1CCN(Cc2cc(NC(=O)c3ccc(Cl)c(C#Cc4cnc5ccnn5c4)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4438475 OBDepict CH 3 HN O N N N F F F IC50 = 10.4 nM 486.5 CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL4447700 OBDepict O N H NH CH 3 F F F N IC50 = 10.5 nM 385.39 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cccnc1 Homo sapiens CHEMBL4338771 cell-based format
CHEMBL4172767 OBDepict CH 3 N N N H F F F O H 3 C CH 3 N N N IC50 = 11.4 nM 560.62 CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4151608 single protein format
CHEMBL552425 OBDepict O N H HN H 3 C F F F N O NH 2 IC50 = 12.4 nM 414.39 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1 Homo sapiens CHEMBL4338770 assay format
CHEMBL2336014 OBDepict O N H CH 3 N F F F N N N IC50 = 12.47 nM 503.53 Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4167237 OBDepict CH 3 N N N H F F F O H 3 C CH 3 N N IC50 = 12.5 nM 559.64 CC(C)c1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12 Homo sapiens CHEMBL4151608 single protein format
CHEMBL4176145 OBDepict CH 3 N N N H F F F O N N N IC50 = 12.6 nM 558.61 CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(C#Cc4cnc5cnccn45)c3)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL4151608 single protein format
CHEMBL4077561 OBDepict H 3 C HN O N N N F F F N CH 3 IC50 = 13.1 nM 545.61 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1ccc2ccnn2c1 Homo sapiens CHEMBL4042995 assay format
CHEMBL2336011 OBDepict CH 3 O N H N O N CH 3 CH 3 N N N IC50 = 13.3 nM 494.6 COc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336010 OBDepict H 3 C N N N H Cl O CH 3 N N N IC50 = 13.94 nM 499.02 Cc1ccc(C(=O)Nc2cc(Cl)cc(CN3CCN(C)CC3)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4472004 OBDepict H 3 C N N NH CH 3 CH 3 H 3 C O H N CH 3 N N IC50 = 14.4 nM 480.62 Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@H](N(C)c3cncnc3)C4)cc(C(C)(C)C)c2)cn1 Homo sapiens CHEMBL4407669 assay format
CHEMBL4541139 OBDepict CH 3 NH N O N CH 3 H N CH 3 N N IC50 = 14.7 nM 452.56 CCc1cc(NC(=O)c2ccc3c(c2)C[C@H](N(C)c2cncnc2)C3)cc(-n2cnc(C)c2)c1 Homo sapiens CHEMBL4407669 assay format
CHEMBL4437631 OBDepict H 3 C N N NH F F F O H N CH 3 N N IC50 = 14.9 nM 492.51 Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@H](N(C)c3cncnc3)C4)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL4407669 assay format
CHEMBL4584937 OBDepict CH 3 N H NH O N N H F F F IC50 = 15.2 nM 450.46 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NCc1cncc(-c2ccc[nH]2)c1 Homo sapiens CHEMBL4338771 cell-based format
CHEMBL4553037 OBDepict H 3 C N N NH F F F O N H H 3 C N N IC50 = 15.4 nM 492.51 Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)CN(c3cncnc3)C[C@@H]4C)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL4407669 assay format
CHEMBL4441609 OBDepict CH 3 N N HN CH 3 H 3 C O H N CH 3 N N IC50 = 15.5 nM 466.59 Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@H](N(C)c3cncnc3)C4)cc(C(C)C)c2)cn1 Homo sapiens CHEMBL4407669 assay format
CHEMBL4583783 OBDepict N N N CH 3 NH O N F F F IC50 = 15.6 nM 511.51 CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(C#N)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL4159956 OBDepict CH 3 NH O N N CH 3 N F F F N H 3 C IC50 = 16.0 nM 509.58 CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cncn1C Homo sapiens CHEMBL4151608 single protein format
CHEMBL4649685 OBDepict O N H N N O F F F N O N N N H IC50 = 16.0 nM 515.5 O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3cnc4[nH]ncc4c3)CC2)C1=O)NCC(F)(F)F Homo sapiens CHEMBL4611752 single protein format
CHEMBL4466438 OBDepict CH 3 O N N CH 3 HN O N F F F IC50 = 16.5 nM 516.52 CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(OC)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL2336019 OBDepict Br N H O CH 3 N N N IC50 = 16.64 nM 431.29 Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336012 OBDepict O NH CH 3 N F F F N N N O IC50 = 17.49 nM 519.53 Cc1ccc(C(=O)Nc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336025 OBDepict O N H CH 3 N N N N N IC50 = 19.03 nM 418.46 Cc1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336020 OBDepict I N H O CH 3 N N N IC50 = 19.75 nM 478.29 Cc1ccc(C(=O)Nc2cccc(I)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4088784 OBDepict CH 3 N N F F F N H O N CH 3 N N IC50 = 19.9 nM 524.59 CC1CN(c2cncnc2)Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc21 Homo sapiens CHEMBL4042995 assay format
CHEMBL3809489 OBDepict NH 2 N N N N H N N H N IC50 = 20.0 nM 506.66 Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 Homo sapiens CHEMBL4188984 assay format
CHEMBL4444612 OBDepict CH 3 NH O Cl N N N F F F IC50 = 21.3 nM 520.94 CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(Cl)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL4571241 OBDepict CH 3 N O CH 3 H 3 C NH O F O N N O CH 3 O H 3 C IC50 = 22.2 nM 542.57 CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C Homo sapiens CHEMBL4426901 single protein format
CHEMBL2336018 OBDepict CH 3 O N H O CH 3 N N N IC50 = 22.36 nM 382.42 COc1ccc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)cc1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4555024 OBDepict CH 3 NH O CH 3 N N N F F F IC50 = 22.5 nM 500.52 CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(C)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL3977543 OBDepict H 3 C N H O N N H S N F N H 2 N Cl IC50 = 23.0 nM 478.94 Cc1ccc2c(Nc3cccc(Cl)c3F)nccc2c1NC(=O)c1csc2c(N)ncnc12 Homo sapiens CHEMBL3887352 single protein format
CHEMBL4519003 OBDepict CH 3 HN O CH 3 N N F N F F F IC50 = 23.8 nM 518.51 CCc1ccc(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)cc1-c1cc(C)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL4066114 OBDepict CH 3 N N NH F F F O N H H 3 C N N IC50 = 24.3 nM 524.59 C[C@H]1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21 Homo sapiens CHEMBL4425808 cell-based format
CHEMBL4075510 OBDepict CH 3 N N NH F F F O N CH 3 N N IC50 = 25.6 nM 538.62 CC1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCCN(C)CC4)cc(C(F)(F)F)c3)ccc21 Homo sapiens CHEMBL4042995 assay format
CHEMBL4635278 OBDepict O NH N O F F F Br N O N N N H IC50 = 29.0 nM 565.35 O=C(CN1C(=O)C2(CCN(C(=O)c3ccc4[nH]ncc4n3)CC2)c2c(Br)cccc21)NCC(F)(F)F Homo sapiens CHEMBL4611752 single protein format
CHEMBL2336031 OBDepict CH 3 NH O N N N IC50 = 29.15 nM 358.45 Cc1ccc(C(=O)NC2CCCCC2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336007 OBDepict CH 3 N H Cl O CH 3 N N N IC50 = 29.81 nM 400.87 Cc1cc(Cl)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4586565 OBDepict CH 3 CH 3 NH O N N N F F F IC50 = 30.1 nM 500.52 CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3cnccn23)c1C Homo sapiens CHEMBL4345300 assay format
CHEMBL4571430 OBDepict CH 3 NH O F N N N F F F IC50 = 30.3 nM 504.49 CCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc(F)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL4218175 OBDepict CH 3 N H N N N N N N H 3 C IC50 = 35.0 nM 405.55 CNc1ncc2c(-c3ccc(N4CCN(C)CC4)cc3)nn(CC3CCCC3)c2n1 Homo sapiens CHEMBL4188984 assay format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 35.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261406 single protein format
CHEMBL2336023 OBDepict CH 3 O H 3 C N H O CH 3 N N N IC50 = 35.02 nM 410.48 Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4435100 OBDepict H 3 C H N N N N H O N F F F N H 3 C IC50 = 36.4 nM 538.62 CC[C@H]1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21 Homo sapiens CHEMBL4425808 cell-based format
CHEMBL4483465 OBDepict CH 3 N H NH O N N H H 3 C F F F IC50 = 36.4 nM 464.49 Cc1ccc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1NCc1cncc(-c2ccc[nH]2)c1 Homo sapiens CHEMBL4338771 cell-based format
CHEMBL4440007 OBDepict CH 3 NH O CH 3 N N F N F F F IC50 = 36.5 nM 518.51 CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1-c1cc(C)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL2336013 OBDepict O NH CH 3 N F F F N N N IC50 = 37.58 nM 517.56 Cc1ccc(C(=O)Nc2cc(CN3CCCCC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL4087485 OBDepict CH 3 N N NH F F F O N CH 3 N N IC50 = 38.3 nM 524.59 CC1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc21 Homo sapiens CHEMBL4042995 assay format
CHEMBL2336033 OBDepict CH 3 NH O N N N IC50 = 38.9 nM 352.4 Cc1ccc(C(=O)Nc2ccccc2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 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 = 39.0 nM 492.59 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(-c2cccc(N)c2)n1 Homo sapiens CHEMBL3266101 single protein format
CHEMBL2336028 OBDepict CH 3 N H CH 3 O CH 3 N N N IC50 = 39.63 nM 318.38 Cc1ccc(C(=O)NC(C)C)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL2336032 OBDepict H 3 C N H O N N N IC50 = 39.82 nM 344.42 Cc1ccc(C(=O)NC2CCCC2)cc1C#Cc1cnc2ccnn2c1 Homo sapiens CHEMBL2342537 single protein format
CHEMBL3954810 OBDepict Cl N H N NH CH 3 O S N N NH 2 IC50 = 40.0 nM 460.95 Cc1ccc2c(Nc3cccc(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12 Homo sapiens CHEMBL3887352 single protein format
CHEMBL4517408 OBDepict CH 3 O O CH 3 O H 3 C N CH 3 N HN IC50 = 41.0 nM 419.53 COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1OC Homo sapiens CHEMBL4626195 single protein format
CHEMBL4447486 OBDepict H 3 C N N CH 3 HN O N F F F IC50 = 42.3 nM 514.55 CCc1cc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2CC)cc(-c2cnc3cnccn23)c1 Homo sapiens CHEMBL4345300 assay format
CHEMBL4472914 OBDepict CH 3 N N HN F F F O H N H N N IC50 = 42.5 nM 478.48 Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@@H](Nc3cncnc3)C4)cc(C(F)(F)F)c2)cn1 Homo sapiens CHEMBL4407669 assay format
CHEMBL941 OBDepict H 3 C N N N H O N H CH 3 N N N IC50 = 43.0 nM 493.62 Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Homo sapiens CHEMBL1251491 cell-based format
CHEMBL3422021 OBDepict H 3 C S O O N Cl O N O H Cl F F F N HN IC50 = 43.0 nM 579.43 CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2c(Cl)c(CN3CCNCC3)c(C(F)(F)F)cc2c1=O Homo sapiens CHEMBL3424174 single protein format
CHEMBL4070502 OBDepict CH 3 N N NH O N CH 3 N N IC50 = 44.6 nM 532.69 CC1CN(c2cncnc2)Cc2cc(C(=O)Nc3cc(CN4CCN(C)CC4)cc(-c4ccccc4)c3)ccc21 Homo sapiens CHEMBL4042995 assay format