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Q13822 | ENPP2_HUMAN | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (ENPP2)

3D structures mapped by conservation among orthologs

[ Domain: "Phosphonoacetate hydrolase insertion domain" // Phosphodiest_C ]

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[ Domain: "His-Me finger endonucleases" // Endonuclease_NS ]

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[ Domain: "Somatomedin B domain" // Somatomedin_B ]

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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
CHEMBL4640012 OBDepict OH N N N S N HN CH 3 O O Cl Cl IC50 = 0.43 nM 588.56 CCn1cc(NC(=O)OCc2cc(Cl)cc(Cl)c2)c2cc(-c3nc(CN4CCN(CCO)CC4)cs3)ccc21 Homo sapiens CHEMBL4616526 single protein format
CHEMBL3828650 OBDepict O N O H H N O O F F F F S O O H 2 N IC50 = 1.0 nM 531.48 NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(C(=O)OCc4ccc(OC(F)(F)F)cc4)C[C@@H]3C2)cc1F Homo sapiens CHEMBL3829624 cell-based format
CHEMBL4871014 OBDepict HO O N H 3 C H O F F F H H F F F IC50 = 1.0 nM 543.55 C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2 Homo sapiens CHEMBL4827647 single protein format
CHEMBL3917975 OBDepict O NH H 3 C H N N N Cl O F F F IC50 = 1.0 nM 502.92 C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL4647222 OBDepict CH 3 N N H O O S N N F F OH IC50 = 1.01 nM 526.61 CCn1cc(NC(=O)OCc2ccc(F)c(F)c2)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21 Homo sapiens CHEMBL4616526 single protein format
CHEMBL4217352 OBDepict O N H N O O P O OH OH Cl Cl IC50 = 1.3 nM 501.3 O=C(Nc1ccc(CP(=O)(O)O)cc1)C1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL4197622 cell-based format
CHEMBL4850429 OBDepict HO O N H 3 C H O F F F H H H 3 C IC50 = 1.4 nM 489.58 C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2 Homo sapiens CHEMBL4827647 single protein format
CHEMBL4788435 OBDepict CH 3 N O N F N H N N O N F F IC50 = 1.5 nM 486.5 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cc2F)CC1 Homo sapiens CHEMBL4714710 cell-based format
CHEMBL4635769 OBDepict H 3 C N N O N O NH H O F CH 3 IC50 = 1.6 nM 520.65 Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C2CCCCC2)c1F Homo sapiens CHEMBL4613082 cell-based format
CHEMBL4745566 OBDepict CH 3 N O CH 3 CH 3 N N H N N O N F F IC50 = 1.6 nM 496.56 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)cc2)CC1(C)C Homo sapiens CHEMBL4714710 cell-based format
CHEMBL4858390 OBDepict CH 3 N NH N CH 3 NH O F N HO IC50 = 1.72 nM 515.63 CCc1nc2c(C)cc(-c3ccc(CN4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(F)cc1 Homo sapiens CHEMBL4810918 single protein format
CHEMBL4751395 OBDepict F F N O N N N H N N O IC50 = 1.8 nM 482.54 FC(F)c1ccc(COc2ccc(NCc3ccc(N4CCN(C5COC5)CC4)cc3)nn2)cn1 Homo sapiens CHEMBL4714710 cell-based format
CHEMBL4758133 OBDepict H 3 C N O N N H N N O N F F IC50 = 1.8 nM 480.52 CC(=O)N1CC2CC1CN2c1ccc(CNc2ccc(OCc3ccc(C(F)F)nc3)nn2)cc1 Homo sapiens CHEMBL4714710 cell-based format
CHEMBL4743845 OBDepict H 3 C N O N N N H N N O N F F IC50 = 1.9 nM 469.5 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)nc2)CC1 Homo sapiens CHEMBL4714710 cell-based format
CHEMBL4784419 OBDepict CH 3 N O N F F F N H N N O N F F IC50 = 1.9 nM 536.51 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)F)nc4)nn3)c(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL4714710 cell-based format
CHEMBL3827512 OBDepict O N H N N N N O O H Cl Cl IC50 = 2.0 nM 440.33 O=C(CCCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL3829077 cell-based format
CHEMBL3917466 OBDepict O NH S H 3 C H N N N F O F F F IC50 = 2.0 nM 504.51 C[C@H](NC(=O)CSc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL3946146 OBDepict O NH H 3 C H N N N Cl O F F IC50 = 2.0 nM 484.93 C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL4759980 OBDepict N N O N N N H N N O CH 3 IC50 = 2.0 nM 443.51 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4cncc(C#N)c4)nn3)cc2)CC1 Homo sapiens CHEMBL4731344 single protein format
CHEMBL4633392 OBDepict CH 3 HN O H N O CH 3 CH 3 N O N CH 3 IC50 = 2.0 nM 462.59 Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C(C)C)c1 Homo sapiens CHEMBL4613082 cell-based format
CHEMBL4639517 OBDepict H 3 C NH O N N O N O HN H O F H 3 C IC50 = 2.0 nM 577.7 CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)[C@H](NC(=O)c3cccc(C)c3F)C3CCCCC3)CC2)C1=O Homo sapiens CHEMBL4613082 cell-based format
CHEMBL3889955 OBDepict O NH H 3 C H N N N Cl F F F IC50 = 2.0 nM 486.93 C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL4102874 OBDepict O N N H 3 C F S Cl F O _ O + Na IC50 = 2.0 nM 560.99 Cc1c(Sc2cccc(C(=O)[O-])c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2ccccc21.[Na+] Homo sapiens CHEMBL4001031 single protein format
CHEMBL4100462 OBDepict H 3 C N N N CH 3 S N N F IC50 = 2.0 nM 429.52 CCc1nc2ccc(-c3cccnc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1 Homo sapiens CHEMBL4040574 single protein format
CHEMBL4781471 OBDepict CH 3 N N F F F N H S N N S N OH IC50 = 2.1 nM 584.69 CCn1cc(/C(=N/Nc2nc3ccccc3s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21 Homo sapiens CHEMBL4771183 cell-based format
CHEMBL4092264 OBDepict Cl Cl O N O N H O S N P O OH OH IC50 = 2.19 nM 584.42 O=C(NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1nc(-c2ccc(CP(=O)(O)O)cc2)cs1 Homo sapiens CHEMBL4058363 single protein format
CHEMBL4877694 OBDepict CH 3 N O N NH H 3 C N N O N F F F IC50 = 2.2 nM 500.53 CC(=O)N1CCN(c2ccc(C(C)Nc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cc2)CC1 Homo sapiens CHEMBL4827624 single protein format
CHEMBL4165749 OBDepict O N O H H H HN F F F F F F O N N N H IC50 = 2.2 nM 527.43 O=C(NC[C@H]1[C@@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@H]12)c1ccc2[nH]nnc2c1 Homo sapiens CHEMBL4143983 single protein format
CHEMBL4448598 OBDepict O N O N N N H N N N H IC50 = 2.2 nM 405.46 O=C(COCCc1c[nH]nn1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1 Homo sapiens CHEMBL4433163 cell-free format
CHEMBL4648587 OBDepict F N H O H N O H 3 C CH 3 N O N H 3 C IC50 = 2.2 nM 466.56 CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 Homo sapiens CHEMBL4613082 cell-based format
CHEMBL4453084 OBDepict O N N N N N H N N H IC50 = 2.2 nM 417.52 O=C(CCCCc1c[nH]nn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Homo sapiens CHEMBL4433162 cell-based format
CHEMBL4744849 OBDepict H 3 C N N H N H O N H O F N OH IC50 = 2.3 nM 543.64 CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(NC(=O)c3ccc(CN4CCC(O)CC4)cc3)ccc21 Homo sapiens CHEMBL4723504 single protein format
CHEMBL4855996 OBDepict CH 3 N O N F NH N N O N F F F IC50 = 2.4 nM 530.53 CC(=O)N1CCN(c2ccc(C3(Nc4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2F)CC1 Homo sapiens CHEMBL4827624 single protein format
CHEMBL4867860 OBDepict CH 3 N O N NH N N O N F F F IC50 = 2.5 nM 512.54 CC(=O)N1CCN(c2ccc(C3(Nc4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2)CC1 Homo sapiens CHEMBL4827624 single protein format
CHEMBL4549771 OBDepict O N O N H O N N N H IC50 = 2.5 nM 455.52 O=C(CCN1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1ccc2[nH]c(=O)oc2c1 Homo sapiens CHEMBL4433162 cell-based format
CHEMBL3827088 OBDepict F N N N O N S IC50 = 2.59 nM 432.52 O=C(CCc1nc2ccccc2s1)N1CCc2ncnc(Cc3ccc(F)cc3)c2C1 Homo sapiens CHEMBL3829622 single protein format
CHEMBL4858728 OBDepict H 3 C N O N HN CH 3 H N N O N F F F IC50 = 2.6 nM 500.53 CC(=O)N1CCN(c2ccc([C@H](C)Nc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cc2)CC1 Homo sapiens CHEMBL4827624 single protein format
CHEMBL4214731 OBDepict O N O F N H O O F F F P O OH HO IC50 = 2.78 nM 534.4 O=C(Nc1ccc(CP(=O)(O)O)cc1)C1CCN(C(=O)OCc2ccc(OC(F)(F)F)cc2F)CC1 Homo sapiens CHEMBL4197619 single protein format
CHEMBL4476558 OBDepict O N N N O N H N H O IC50 = 2.8 nM 455.52 O=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Homo sapiens CHEMBL4433162 cell-based format
CHEMBL3186509 OBDepict Cl Cl O N O N O O N H O IC50 = 2.8 nM 478.33 O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1 Homo sapiens CHEMBL3829612 cell-based format
CHEMBL4065817 OBDepict Cl Cl O N O N H O S N NH S O O CH 3 IC50 = 2.99 nM 583.52 CS(=O)(=O)Nc1ccc(-c2csc(C(=O)NC3CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC3)n2)cc1 Homo sapiens CHEMBL4058363 single protein format
CHEMBL3908584 OBDepict O N H N N N N O O H Br F F F IC50 = 3.0 nM 518.33 O=C(CCCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Br)cc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL3944813 OBDepict H 3 C O N N N N H O H 3 C H Cl IC50 = 3.0 nM 448.95 COc1ccc(Cn2c(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)nc3cccnc32)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL3906229 OBDepict O N H N N N N H O O Cl Cl IC50 = 3.0 nM 426.3 O=C(CCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL4794512 OBDepict CH 3 O N O N N N H N N O H 3 C IC50 = 3.0 nM 448.53 COc1ccc(COc2ccc(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)nn2)cn1 Homo sapiens CHEMBL4731344 single protein format
CHEMBL3912114 OBDepict O NH H 3 C H N N Cl N O F F F IC50 = 3.0 nM 502.92 C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL4203076 OBDepict O N O N H O O F F F P O OH HO IC50 = 3.12 nM 516.41 O=C(Nc1ccc(CP(=O)(O)O)cc1)C1CCN(C(=O)OCc2ccc(OC(F)(F)F)cc2)CC1 Homo sapiens CHEMBL4197619 single protein format
CHEMBL4851047 OBDepict CH 3 N O N CH 3 NH N N O N F F F IC50 = 3.4 nM 526.56 CC(=O)N1CCN(c2ccc(C3(Nc4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2C)CC1 Homo sapiens CHEMBL4827624 single protein format
CHEMBL4867383 OBDepict H 3 C N O N HN CH 3 H N N O N F F F IC50 = 3.4 nM 500.53 CC(=O)N1CCN(c2ccc([C@@H](C)Nc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cc2)CC1 Homo sapiens CHEMBL4827624 single protein format
CHEMBL4645846 OBDepict H 3 C NH O N N O N O HN H O Cl IC50 = 3.5 nM 580.13 CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)[C@H](NC(=O)c3cccc(Cl)c3)C3CCCCC3)CC2)C1=O Homo sapiens CHEMBL4613082 cell-based format
CHEMBL4872157 OBDepict HO O N CH 3 H O F F F H H H 3 C IC50 = 3.6 nM 503.61 C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C)CC3)c(C(F)(F)F)c2c1)N1C2CCCC1CC(C(=O)O)C2 Homo sapiens CHEMBL4827647 single protein format
CHEMBL3966234 OBDepict O N H N N H 3 C S O HO N F F F IC50 = 3.8 nM 520.58 C[C@]1(C(=O)O)CC[C@H](CC(=O)N2CCc3c(n(Cc4cnc(C(F)(F)F)s4)c4ncccc34)C2)CC1 Homo sapiens CHEMBL3888514 single protein format
CHEMBL4128124 OBDepict Cl Cl O N O N N O O N H O IC50 = 3.9 nM 505.36 O=C(OCc1cc(Cl)cc(Cl)c1)N1CC(N2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)C1 Homo sapiens CHEMBL4123927 single protein format
CHEMBL3890736 OBDepict O HN N N O O N N H Cl Cl IC50 = 4.0 nM 454.36 O=C(CCCCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL3894127 OBDepict O HN N O O N N N H Cl Cl IC50 = 4.0 nM 468.39 O=C(CCCCCc1c[nH]nn1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL3959644 OBDepict N O F F F N O NH O N N N H IC50 = 4.0 nM 464.45 N#Cc1cc(COC(=O)N2CCC(NC(=O)CCCc3c[nH]nn3)CC2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL4796631 OBDepict H 3 C N O N N H N N O N O F F F IC50 = 4.0 nM 502.5 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(OC(F)(F)F)nc4)nn3)cc2)CC1 Homo sapiens CHEMBL4731344 single protein format
CHEMBL4760475 OBDepict N O N N N H N N O CH 3 IC50 = 4.0 nM 442.52 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4cccc(C#N)c4)nn3)cc2)CC1 Homo sapiens CHEMBL4731344 single protein format
CHEMBL4569141 OBDepict Cl N H N N N O O N H O IC50 = 4.0 nM 477.95 O=C(CCc1ccc2[nH]c(=O)oc2c1)N1CCc2nc(NCCc3ccc(Cl)cc3)ncc2C1 Homo sapiens CHEMBL4433162 cell-based format
CHEMBL4792073 OBDepict CH 3 N O NH N N O IC50 = 4.0 nM 416.53 CC(=O)N1CCC(c2ccc(CNc3ccc(OCc4ccccc4)nn3)cc2)CC1 Homo sapiens CHEMBL4731344 single protein format
CHEMBL4529959 OBDepict CH 3 O O N CH 3 N N O Cl IC50 = 4.2 nM 345.79 CCOC(=O)Cn1c(C)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 Homo sapiens CHEMBL4404851 cell-based format
CHEMBL3918144 OBDepict O N N CH 3 H 3 C O OH N S N F F F IC50 = 4.5 nM 494.54 CC(C)(CCCC(=O)N1CCc2c(n(Cc3cnc(C(F)(F)F)s3)c3ncccc23)C1)C(=O)O Homo sapiens CHEMBL3888514 single protein format
CHEMBL4454442 OBDepict O N N N N N H N IC50 = 4.8 nM 416.53 O=C(CCCCn1ccnc1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Homo sapiens CHEMBL4433162 cell-based format
CHEMBL3933325 OBDepict HO O N H H 3 C H H 3 C N N O N N S F F F IC50 = 4.9 nM 549.62 C[C@H]1CN(CC(=O)N2CCc3c(n(Cc4ccc(C(F)(F)F)s4)c4ncccc34)C2)C[C@@H](C)N1CC(=O)O Homo sapiens CHEMBL3888514 single protein format
CHEMBL4073215 OBDepict Cl N S CH 3 O HO IC50 = 5.0 nM 393.9 Cc1c(Sc2cccc(C(=O)O)c2)c2ccc(Cl)cc2n1-c1ccccc1 Homo sapiens CHEMBL4001021 single protein format
CHEMBL3983022 OBDepict O NH O H 3 C H N N N Cl O F F F IC50 = 5.0 nM 504.9 C[C@H](NC(=O)COc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL4073638 OBDepict H 3 C N N N CH 3 S N HN O Cl N O O CH 3 IC50 = 5.0 nM 567.12 CCOC(=O)N1CCC(NC(=O)c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(Cl)cc5)cs4)n3c2)CC1 Homo sapiens CHEMBL4040574 single protein format
CHEMBL3677653 OBDepict OH O H H N O N N F Cl IC50 = 5.0 nM 483.97 O=C(C[C@H]1CC[C@H](C(=O)O)CC1)N1CCc2c(n(Cc3ccc(Cl)cc3F)c3ncccc23)C1 Homo sapiens CHEMBL3706200 single protein format
CHEMBL3954222 OBDepict O N H N N N N O O H CH 3 F F F IC50 = 5.0 nM 453.47 Cc1cc(COC(=O)N2CCC(NC(=O)CCCc3c[nH]nn3)CC2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL3889650 OBDepict O N N N O HO S N F F F IC50 = 5.1 nM 518.56 O=C(CC12CCC(C(=O)O)(CC1)C2)N1CCc2c(n(Cc3cnc(C(F)(F)F)s3)c3ncccc23)C1 Homo sapiens CHEMBL3888514 single protein format
CHEMBL4205127 OBDepict Cl Cl O N O N H O P O OH HO IC50 = 5.22 nM 501.3 O=C(NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc(CP(=O)(O)O)cc1 Homo sapiens CHEMBL4197619 single protein format
CHEMBL1802517 OBDepict F N O O N H 3 C O B HO OH IC50 = 5.3 nM 460.27 CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=Cc1ccc(OCc2ccc(B(O)O)cc2)cc1 Homo sapiens CHEMBL1804763 cell-based format
CHEMBL3987170 OBDepict CH 3 O O HO N O N N O F F F IC50 = 5.4 nM 539.51 COc1cc(CC(=O)N2CCc3c(n(Cc4ccc(OC(F)(F)F)cc4)c4ncccc34)C2)ccc1C(=O)O Homo sapiens CHEMBL3888514 single protein format
CHEMBL4879002 OBDepict HO N N N CH 3 N N H N H O CH 3 Cl O H 3 C IC50 = 5.43 nM 591.16 CCc1nc2c(C)cc(-c3ccc(CN4CCN(CCO)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1 Homo sapiens CHEMBL4810918 single protein format
CHEMBL1173671 OBDepict F N O S O O B HO OH IC50 = 5.67 nM 463.3 O=C1S/C(=Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 Homo sapiens CHEMBL1176955 cell-based format
CHEMBL4780722 OBDepict H 3 C O N N N O N N N F F F N CH 3 IC50 = 5.8 nM 461.45 Cc1nnn(Cc2cc(C(F)(F)F)ccc2/C=C/C(=O)N2CCC(c3noc(C)n3)CC2)n1 Homo sapiens CHEMBL4677232 cell-based format
CHEMBL4779944 OBDepict CH 3 O N N N O N Cl N N N CH 3 IC50 = 5.9 nM 467.96 COc1ccc(CN2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cn3nnc(C)n3)CC2)nc1 Homo sapiens CHEMBL4677232 cell-based format
CHEMBL4786202 OBDepict Cl N N N N O H 3 C H CH 3 N F IC50 = 5.9 nM 467.98 Cc1cnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)n1 Homo sapiens CHEMBL4677232 cell-based format
CHEMBL3916898 OBDepict F N N N N H O H 3 C H F IC50 = 6.0 nM 420.46 C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(F)cc1)c1ccc(F)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL3907952 OBDepict O HN N N N N O O H CH 3 CH 3 IC50 = 6.0 nM 399.5 Cc1cc(C)cc(COC(=O)N2CCC(NC(=O)CCCc3c[nH]nn3)CC2)c1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL4746361 OBDepict Cl Cl O N N N H N N O CH 3 IC50 = 6.0 nM 486.4 CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4cc(Cl)cc(Cl)c4)nn3)cc2)CC1 Homo sapiens CHEMBL4731344 single protein format
CHEMBL1818146 OBDepict NH 2 H 3 C N H O P F O OH OH Ki = 6.1 nM 514.66 CCCCCCCCCCCCCC(=O)Nc1ccc(C(F)P(=O)(O)O)cc1.NC1CCCCC1 Homo sapiens CHEMBL1820671 cell-based format
CHEMBL1802518 OBDepict F N O O N H 3 C O B HO OH IC50 = 6.7 nM 460.27 CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(B(O)O)cc2)cc1 Homo sapiens CHEMBL1804763 cell-based format
CHEMBL3677651 OBDepict F F N N N O CH 3 CH 3 O HO IC50 = 6.7 nM 455.51 CC(C)(CCCC(=O)N1CCc2c(n(Cc3ccc(F)cc3F)c3ncccc23)C1)C(=O)O Homo sapiens CHEMBL3706200 single protein format
CHEMBL3827513 OBDepict O N N N N N N H N N H IC50 = 7.0 nM 438.5 O=C(c1cc(-c2cnn[nH]2)ccn1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1 Homo sapiens CHEMBL3829623 cell-free format
CHEMBL3970689 OBDepict O N O Cl Cl NH O N N N H IC50 = 7.0 nM 440.33 O=C(CCC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)NCc1c[nH]nn1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL1802519 OBDepict F N O O O B HO OH IC50 = 7.3 nM 445.26 O=C1C/C(=Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 Homo sapiens CHEMBL1804763 cell-based format
CHEMBL4878631 OBDepict CH 3 N NH N CH 3 NH O Cl O N H 3 C HO IC50 = 7.41 nM 562.11 CCc1nc2c(C)cc(-c3ccc(CN4CCC(O)CC4)cc3)cn2c1NC(=O)NCc1ccc(OC)c(Cl)c1 Homo sapiens CHEMBL4810918 single protein format
CHEMBL3677661 OBDepict O N N CH 3 N O OH S Cl IC50 = 7.8 nM 479.99 Cc1cc(CC(=O)N2CCc3c(n(Cc4csc(Cl)c4)c4ncccc34)C2)ccc1C(=O)O Homo sapiens CHEMBL3706200 single protein format
CHEMBL4794205 OBDepict Cl N N N N N O CH 3 N O CH 3 IC50 = 7.9 nM 440.94 Cc1nnn(Cc2cc(Cl)ccc2/C=C/C(=O)N2CCC(Cc3ncc(C)o3)CC2)n1 Homo sapiens CHEMBL4677232 cell-based format
CHEMBL3958589 OBDepict N Cl O N O NH O N N N H IC50 = 8.0 nM 430.9 N#Cc1cc(Cl)cc(COC(=O)N2CCC(NC(=O)CCCc3c[nH]nn3)CC2)c1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL3897498 OBDepict O N H N CH 3 CH 3 CH 3 N O HO S CH 3 N F F F IC50 = 8.0 nM 548.63 Cc1nc(C(F)(F)F)sc1Cn1c2c(c3cccnc31)CCN(C(=O)C[C@H]1CC[C@@](C)(C(=O)O)C1(C)C)C2 Homo sapiens CHEMBL3888514 single protein format
CHEMBL3954335 OBDepict N Cl O N O N H O N N N H IC50 = 8.0 nM 444.92 N#Cc1cc(Cl)cc(COC(=O)N2CCC(NC(=O)CCCCc3c[nH]nn3)CC2)c1 Homo sapiens CHEMBL3888869 single protein format
CHEMBL4784550 OBDepict CH 3 O N O N N N H N N O CH 3 IC50 = 8.0 nM 448.53 COc1cc(COc2ccc(NCc3ccc(N4CCN(C(C)=O)CC4)cc3)nn2)ccn1 Homo sapiens CHEMBL4731344 single protein format
CHEMBL4129507 OBDepict Cl Cl O N O HO HN O O N H O IC50 = 8.0 nM 494.33 O=C(NCC1(O)CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1 Homo sapiens CHEMBL4123927 single protein format
CHEMBL4084005 OBDepict CH 3 N N N H 3 C S N N O F IC50 = 8.0 nM 437.54 CCc1nc2ccc(N3CCOCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1 Homo sapiens CHEMBL4040574 single protein format
CHEMBL3982059 OBDepict O NH H 3 C H N N F N O F F F IC50 = 8.0 nM 486.47 C[C@H](NC(=O)CCc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 Homo sapiens CHEMBL3865062 single protein format
CHEMBL1818147 OBDepict NH 2 H 3 C N H O P Br O OH OH Ki = 8.1 nM 575.57 CCCCCCCCCCCCCC(=O)Nc1ccc(C(Br)P(=O)(O)O)cc1.NC1CCCCC1 Homo sapiens CHEMBL1820671 cell-based format
CHEMBL4871067 OBDepict HO O N O F F F H H H 3 C IC50 = 8.2 nM 489.58 C[C@H]1CC[C@@H](Oc2ccc3ccc(CN4C5CCCC4CC(C(=O)O)C5)cc3c2C(F)(F)F)CC1 Homo sapiens CHEMBL4827647 single protein format
CHEMBL1802471 OBDepict F N O S O HN B HO OH IC50 = 8.3 nM 462.31 O=C1S/C(=Cc2ccc(NCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 Homo sapiens CHEMBL1804763 cell-based format