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Q13093 | PAFA_HUMAN | Platelet-activating factor acetylhydrolase (PLA2G7)

3D structures mapped by conservation among orthologs

[ Domain: "alpha/beta-Hydrolases" // Hydrolase_4 ]

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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
CHEMBL87729 OBDepict H 3 C NH O N S N O N N F IC50 = 0.1 nM 553.75 CCCCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL85885 OBDepict H 3 C NH O N S N O N N F IC50 = 0.3 nM 553.75 CCCCCCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL421165 OBDepict CH 3 HN O N S N O N N F IC50 = 0.4 nM 525.69 CCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL153142 OBDepict CH 3 N CH 3 O N S N O N N H 3 C F IC50 = 0.9 nM 581.72 Cc1ccc(-c2ccc(CN(C)C(=O)Cn3cc(Cc4cnn(C)c4)c(=O)nc3SCc3ccc(F)cc3)cc2)cc1 Homo sapiens CHEMBL707411 single protein format
CHEMBL87741 OBDepict H 3 C N CH 3 O N S N O N N F IC50 = 1.0 nM 567.78 CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL57713 OBDepict CH 3 N CH 3 O N S N O N N O F CH 3 IC50 = 1.0 nM 597.8 CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(OC)nc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL767153 single protein format
CHEMBL3792774 OBDepict CH 3 O O N CH 3 N CH 3 O N O F F O Cl F F F IC50 = 1.1 nM 561.89 CCOC(=O)CN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C Homo sapiens CHEMBL3796340 single protein format
CHEMBL3792873 OBDepict CH 3 O N N CH 3 O N O F F O Cl F F F IC50 = 1.1 nM 559.92 COC1CCN(c2cc(OCc3cc(F)c(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)nc(=O)n2C)CC1 Homo sapiens CHEMBL3796340 single protein format
CHEMBL3792756 OBDepict CH 3 O N CH 3 N H 3 C O N O F F O Cl F F F IC50 = 1.2 nM 533.88 COCCN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C Homo sapiens CHEMBL3796340 single protein format
CHEMBL3818650 OBDepict NH 2 O NH H 3 C N N CH 3 O CH 3 OH IC50 = 1.4 nM 410.52 COC(CO)Cn1ccc(Nc2cc(-c3ccccc3C)c(C)cc2OCCN)n1 Homo sapiens CHEMBL3820395 single protein format
CHEMBL152387 OBDepict F S N N O NH O N N CH 3 Cl IC50 = 1.6 nM 588.11 Cn1cc(Cc2cn(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Homo sapiens CHEMBL707411 single protein format
CHEMBL3794023 OBDepict F O F O N Cl F F F N N O CH 3 O IC50 = 1.6 nM 531.87 Cn1c(N2CCOCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL3792924 OBDepict F O F O N Cl F F F N N O CH 3 S O O IC50 = 1.7 nM 579.93 Cn1c(N2CCS(=O)(=O)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL3793007 OBDepict F O F O N Cl F F F N N O CH 3 S IC50 = 1.8 nM 547.93 Cn1c(N2CCSCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL3792761 OBDepict F O F O N Cl F F F N N O CH 3 N IC50 = 1.8 nM 570.95 Cn1c(N2CCN(C3CC3)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL3794575 OBDepict Cl F F F O O N N N O H 3 C O IC50 = 1.9 nM 495.89 Cn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL82956 OBDepict CH 3 NH O N S N O N N F IC50 = 2.0 nM 511.67 CCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL83522 OBDepict F N H O N S N O N N F IC50 = 2.0 nM 563.67 O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)NCCCCCCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL3793506 OBDepict N O O N Cl F F F N N O H 3 C O IC50 = 2.2 nM 520.9 Cn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL3794220 OBDepict F N N CH 3 O N O F F O Cl F F F IC50 = 2.2 nM 547.88 Cn1c(N2CCC(F)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL3634553 OBDepict F O F O N Cl F F F N N N N IC50 = 2.3 nM 533.84 Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(Cl)c(C(F)(F)F)c1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL3817896 OBDepict NH 2 O NH H 3 C S N CH 3 O CH 3 OH IC50 = 2.4 nM 427.57 COC(CO)Cc1csc(Nc2cc(-c3ccccc3C)c(C)cc2OCCN)n1 Homo sapiens CHEMBL3820395 single protein format
CHEMBL346439 OBDepict N N CH 3 O N S N O N N CH 3 F IC50 = 2.6 nM 592.7 CN(Cc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707411 single protein format
CHEMBL3792835 OBDepict F O F O N Cl F F F CH 3 N O CH 3 IC50 = 2.6 nM 460.79 Cc1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C Homo sapiens CHEMBL3796340 single protein format
CHEMBL3794054 OBDepict F O O N Cl F F F N N O H 3 C O IC50 = 2.7 nM 513.88 Cn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL150447 OBDepict F S N N O N O CH 3 N N CH 3 F IC50 = 2.7 nM 585.68 CN(Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707411 single protein format
CHEMBL3634550 OBDepict N O O N Cl F F F N N N N IC50 = 2.9 nM 522.87 N#Cc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL57132 OBDepict F S N N O N O N N CH 3 N Cl IC50 = 3.0 nM 595.14 Cn1cc(Cc2cn(CCCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(SCc3ccc(F)cc3)nc2=O)cn1 Homo sapiens CHEMBL767153 single protein format
CHEMBL87268 OBDepict H 3 C N H 3 C O N S N O N N F IC50 = 3.0 nM 525.69 CCCCCCCN(C)C(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL3634561 OBDepict H N O N O N N O Cl F F F IC50 = 3.4 nM 502.88 O=c1nc(OCCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)[nH]cc1Cc1cncnc1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL3792672 OBDepict CH 3 N N N CH 3 O N O F F O Cl F F F IC50 = 3.5 nM 544.91 CN1CCN(c2cc(OCc3cc(F)c(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)nc(=O)n2C)CC1 Homo sapiens CHEMBL3796340 single protein format
CHEMBL3819600 OBDepict CH 3 O OH N S N H O CH 3 H 3 C CH 3 IC50 = 3.6 nM 398.53 COc1cc(C)c(-c2ccccc2C)cc1Nc1nc(CC(CO)OC)cs1 Homo sapiens CHEMBL3820395 single protein format
CHEMBL3792670 OBDepict CH 3 O N CH 3 O N O F F O Cl F F F IC50 = 3.7 nM 476.79 COc1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C Homo sapiens CHEMBL3796340 single protein format
CHEMBL3634549 OBDepict F O O N Cl F F F N N N N IC50 = 3.7 nM 515.85 Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL3792717 OBDepict F O F O N Cl F F F O N N CH 3 CH 3 H 3 C IC50 = 3.9 nM 489.83 CN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C Homo sapiens CHEMBL3796340 single protein format
CHEMBL150822 OBDepict O N H N S N O N N F H 3 C F IC50 = 4.0 nM 599.71 Cn1cc(Cc2cn(CCCC(=O)NCc3ccc(-c4ccc(F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Homo sapiens CHEMBL707411 single protein format
CHEMBL3794025 OBDepict F O F O N Cl F F F N N O CH 3 CH 3 IC50 = 4.0 nM 515.87 CN(c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C)C1CC1 Homo sapiens CHEMBL3796340 single protein format
CHEMBL153681 OBDepict F S N N O HN O N N IC50 = 4.0 nM 551.65 O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)NCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL707411 single protein format
CHEMBL3793562 OBDepict CH 3 N N H 3 C CH 3 O N O F F O Cl F F F IC50 = 4.2 nM 517.88 CCN(CC)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C Homo sapiens CHEMBL3796340 single protein format
CHEMBL3792972 OBDepict F O F O N Cl F F F N N O CH 3 F F IC50 = 4.6 nM 565.87 Cn1c(N2CCC(F)(F)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL4076292 OBDepict N O HN S O O O HO Cl F F F IC50 = 5.0 nM 496.85 N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 Homo sapiens CHEMBL4027199 assay format
CHEMBL150823 OBDepict O N H N S N O N N H 3 C F IC50 = 5.0 nM 581.72 Cn1cc(Cc2cn(CCCC(=O)NCc3ccc(-c4ccccc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Homo sapiens CHEMBL707411 single protein format
CHEMBL150336 OBDepict F S N N O N O CH 3 N N H 3 C IC50 = 5.0 nM 567.69 CN(Cc1ccc(-c2ccccc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707411 single protein format
CHEMBL3634557 OBDepict F O F O N Cl Cl N N N N IC50 = 6.3 nM 500.29 Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL3634555 OBDepict F O F O N F F F F N N N N IC50 = 6.5 nM 517.39 Fc1ccc(Oc2c(F)cc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2F)cc1C(F)(F)F Homo sapiens CHEMBL3635122 single protein format
CHEMBL315341 OBDepict H 3 C NH O N S N O N N F IC50 = 7.0 nM 497.64 CCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL82900 OBDepict H 3 C NH O N S N O N N F IC50 = 7.0 nM 497.64 CCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL153701 OBDepict F S N N O N O H 3 C N N IC50 = 8.0 nM 565.67 CN(Cc1ccc(-c2ccccc2)cc1)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707411 single protein format
CHEMBL3793795 OBDepict CH 3 N CH 3 O N O F F O Cl F F F IC50 = 8.0 nM 474.81 CCn1c(C)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL3794546 OBDepict F O F O N Cl F F F N N O CH 3 IC50 = 8.3 nM 529.89 Cn1c(N2CCCCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O Homo sapiens CHEMBL3796340 single protein format
CHEMBL4066748 OBDepict N O HN S O O N H O H 3 C Cl F F F IC50 = 9.0 nM 523.92 CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)c2)cc1 Homo sapiens CHEMBL4027199 assay format
CHEMBL3819444 OBDepict CH 3 O HO N S N H H 3 C CH 3 IC50 = 9.5 nM 368.5 COC(CO)Cc1csc(Nc2ccc(C)c(-c3ccccc3C)c2)n1 Homo sapiens CHEMBL3820395 single protein format
CHEMBL3634454 OBDepict Cl F F F O O N N N N N IC50 = 10.6 nM 497.86 FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl Homo sapiens CHEMBL3635122 single protein format
CHEMBL3634556 OBDepict F O F O N F F F N N N N IC50 = 10.9 nM 499.4 Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL85805 OBDepict Cl O S N N O S N N IC50 = 11.0 nM 553.15 O=C(CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1Cc1cccs1)c1ccc(Cl)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL3634452 OBDepict Cl F F F O O N N N N N IC50 = 11.1 nM 511.89 FC(F)(F)c1cc(Oc2ccc(CCOc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl Homo sapiens CHEMBL3635122 single protein format
CHEMBL4060770 OBDepict N O HN S O O N H 3 C O H 3 C Cl F F F IC50 = 12.0 nM 523.92 CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)c2)cc1 Homo sapiens CHEMBL4027199 assay format
CHEMBL86017 OBDepict CH 3 N S N O N N F IC50 = 12.0 nM 516.69 CCCCCCc1ccc(CCn2cc(Cc3cncnc3)c(=O)nc2SCc2ccc(F)cc2)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL4088042 OBDepict N O HN S O O N H N O O Cl F F F IC50 = 13.0 nM 580.97 N#Cc1cc(NS(=O)(=O)c2ccc(NC(=O)N3CCOCC3)cc2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 Homo sapiens CHEMBL4027199 assay format
CHEMBL2335769 OBDepict O N H N HO F N H S O O CH 3 IC50 = 13.0 nM 375.38 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3F)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL3634545 OBDepict CH 3 O N N N N N O O Cl F F F IC50 = 13.4 nM 527.89 COc1ncc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL4088985 OBDepict N O HN S O O H 2 N Cl F F F IC50 = 14.0 nM 467.86 N#Cc1cc(NS(=O)(=O)c2ccc(N)cc2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 Homo sapiens CHEMBL4027199 assay format
CHEMBL2335770 OBDepict N NH O N HO N H S O O CH 3 IC50 = 14.0 nM 382.4 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3C#N)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL87375 OBDepict CH 3 N CH 3 O N S N O N N F IC50 = 15.0 nM 511.67 CCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL87936 OBDepict Cl O S N N O O N N IC50 = 16.0 nM 537.09 O=C(CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1Cc1ccco1)c1ccc(Cl)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL3634460 OBDepict Cl F F F O O N N N N IC50 = 16.0 nM 496.88 FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5ccncc5)cnc4n3)cc2)ccc1Cl Homo sapiens CHEMBL3635122 single protein format
CHEMBL2335760 OBDepict O N H N OH H 3 C N H S O O CH 3 IC50 = 16.0 nM 371.42 Cc1ccccc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 Homo sapiens CHEMBL2346227 single protein format
CHEMBL3634546 OBDepict H 3 C N N N N N O O Cl F F F IC50 = 16.9 nM 499.88 Cn1cc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1 Homo sapiens CHEMBL3635122 single protein format
CHEMBL4076690 OBDepict N O HN S O O N H O CH 3 Cl F F F IC50 = 17.0 nM 509.89 CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)c2)cc1 Homo sapiens CHEMBL4027199 assay format
CHEMBL151063 OBDepict CH 3 O N CH 3 O N S N O N N CH 3 F IC50 = 17.0 nM 597.72 COc1ccc(-c2ccc(CN(C)C(=O)Cn3cc(Cc4cnn(C)c4)c(=O)nc3SCc3ccc(F)cc3)cc2)cc1 Homo sapiens CHEMBL707411 single protein format
CHEMBL291535 OBDepict F S N N O N O N N N CH 3 Cl IC50 = 18.0 nM 579.1 Cc1ncc(Cc2cn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(SCc3ccc(F)cc3)nc2=O)cn1 Homo sapiens CHEMBL767153 single protein format
CHEMBL86097 OBDepict H 3 C N S N O N N F IC50 = 19.0 nM 482.67 CCCCCCCCCCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL313286 OBDepict H 3 C HN O N S N O N N F IC50 = 19.0 nM 483.61 CCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL419668 OBDepict Cl O S N N CH 3 O N N IC50 = 19.0 nM 471.03 Cn1cc(Cc2cncnc2)c(=O)nc1SCCCCCCCC(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL3634459 OBDepict Cl F F F O O N N N N IC50 = 19.3 nM 496.88 FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cccnc5)cnc4n3)cc2)ccc1Cl Homo sapiens CHEMBL3635122 single protein format
CHEMBL417780 OBDepict CH 3 O N N N O N S N O N F Cl IC50 = 20.0 nM 595.1 COc1ncc(Cc2cn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(SCc3ccc(F)cc3)nc2=O)cn1 Homo sapiens CHEMBL767153 single protein format
CHEMBL2335786 OBDepict F OH N H O N OH HN S O O CH 3 IC50 = 22.0 nM 391.38 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccc(F)cc3O)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL1946063 OBDepict O N H N OH OH F F IC50 = 23.0 nM 316.26 O=C(Nc1ccc(F)c(F)c1)c1cc(O)c2cccc(O)c2n1 Homo sapiens CHEMBL1948627 single protein format
CHEMBL4070470 OBDepict N O HN S O O N H O CH 3 F F F N IC50 = 23.0 nM 500.46 CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)c(C(F)(F)F)c3)c(C#N)c2)cc1 Homo sapiens CHEMBL4027199 assay format
CHEMBL2335749 OBDepict O N H N HO N H S O O CH 3 IC50 = 23.0 nM 419.55 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCCCC3)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL57979 OBDepict CH 3 N N O N S N O N N H 3 C F IC50 = 24.0 nM 568.76 CCCCCCCCN1CCN(C(=O)Cn2cc(Cc3cnn(C)c3)c(=O)nc2SCc2ccc(F)cc2)CC1 Homo sapiens CHEMBL767153 single protein format
CHEMBL345781 OBDepict F S N N O N H O N N IC50 = 24.0 nM 551.65 O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)NCc1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL707411 single protein format
CHEMBL86033 OBDepict F S N N O N N IC50 = 25.0 nM 530.71 O=c1nc(SCc2ccc(F)cc2)n(CCCCCCCCCc2ccccc2)cc1Cc1cncnc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL3910417 OBDepict O N O F F F F F F N N N IC50 = 26.0 nM 448.37 O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(C(c2cccnc2)c2cccnc2)CC1 Homo sapiens CHEMBL4309851 subcellular format
CHEMBL418113 OBDepict F S N N O N O N N N Cl IC50 = 26.0 nM 565.07 O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL767153 single protein format
CHEMBL2335768 OBDepict F N H O N OH HN S O O CH 3 IC50 = 26.0 nM 375.38 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccc(F)cc3)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL2335779 OBDepict O N H N HO F N H F S O O CH 3 IC50 = 26.0 nM 393.37 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3cccc(F)c3F)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL294196 OBDepict F S N N O N O N N N F F F IC50 = 26.0 nM 598.63 O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 Homo sapiens CHEMBL767153 single protein format
CHEMBL2335742 OBDepict O N H N HO N H S O O CH 3 IC50 = 27.0 nM 357.39 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL2335782 OBDepict F N H H 3 C O N HO NH S O O H 3 C IC50 = 28.0 nM 389.41 Cc1ccc(F)cc1NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 Homo sapiens CHEMBL2346227 single protein format
CHEMBL1945886 OBDepict F N H O N HO OH IC50 = 31.0 nM 298.27 O=C(Nc1ccc(F)cc1)c1cc(O)c2cccc(O)c2n1 Homo sapiens CHEMBL1948627 single protein format
CHEMBL2335767 OBDepict F NH O N HO N H S O O CH 3 IC50 = 31.0 nM 375.38 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3cccc(F)c3)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL1945889 OBDepict O N H N OH CH 3 OH IC50 = 32.0 nM 294.31 Cc1ccccc1NC(=O)c1cc(O)c2cccc(O)c2n1 Homo sapiens CHEMBL1948627 single protein format
CHEMBL2335748 OBDepict O N H N HO N H S O O CH 3 IC50 = 32.0 nM 405.52 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCCC3)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL3922315 OBDepict N F O N O H CH 3 S O O IC50 = 32.0 nM 394.47 CC1([C@@H]2CC(=O)N(CCOc3ccc(F)c(C#N)c3)C2)CCS(=O)(=O)CC1 Homo sapiens CHEMBL3861788 cell-free format
CHEMBL86244 OBDepict Cl O S N N O N N IC50 = 34.0 nM 561.15 O=C(CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1CCc1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL85598 OBDepict Cl O S N N O N N IC50 = 36.0 nM 547.12 O=C(CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1Cc1ccccc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL2335747 OBDepict O N H N HO N H S O O CH 3 IC50 = 38.0 nM 391.49 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCC3)nc12 Homo sapiens CHEMBL2346227 single protein format
CHEMBL87591 OBDepict CH 3 N S N O N N O Cl IC50 = 39.0 nM 485.05 CCn1cc(Cc2cncnc2)c(=O)nc1SCCCCCCCC(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL707412 cell-free format
CHEMBL2335771 OBDepict O N H N HO H 2 N N H S O O CH 3 IC50 = 39.0 nM 372.41 CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)Nc3ccccc3N)nc12 Homo sapiens CHEMBL2346227 single protein format