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Q07343 | PDE4B_HUMAN | "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" (PDE4B)

3D structures mapped by conservation among orthologs

[ Domain: "HD-domain/PDEase-like" // PDEase_I ]

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[ Domain: "HD-domain/PDEase-like" // KOG3689 ]

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[ Domain: "Phosphodiesterase 4 upstream conserved regions (UCR)" // KOG3689 ]

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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
CHEMBL4744560 OBDepict CH 3 O N O N F F F NH 2 H 3 C H N H O O IC50 = 0.01 nM 510.47 COc1ccc(-c2nc(C(=O)NCc3coc4ccccc34)c([C@@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL4725694 single protein format
CHEMBL1830791 OBDepict Cl N NH Cl N O N CH 3 CH 3 N HN N IC50 = 0.02 nM 520.42 CC1(C)CCc2c(Nc3c(Cl)cncc3Cl)nc3oc4c(NCc5cccnc5)ncnc4c3c2C1 Homo sapiens CHEMBL1833210 single protein format
CHEMBL2012227 OBDepict CH 3 O N N O F F F N H O NH 2 H 3 C H F Cl IC50 = 0.03 nM 522.89 COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL3952586 OBDepict CH 3 N N O HN N H O Cl Cl N NH O IC50 = 0.03 nM 563.45 CCn1nc(-c2cccc(-c3cccc(C(=O)NC4CC4)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3746046 OBDepict Cl NH Cl N N O NH N S H 3 C O O CH 3 IC50 = 0.03 nM 440.31 Cc1c(S(C)(=O)=O)nn2c(Nc3cc(Cl)cc(Cl)c3)c3c(nc12)CCNC3=O Homo sapiens CHEMBL3750622 cell-based format
CHEMBL380321 OBDepict N H 3 C H 3 C N N N H O S O O CH 3 IC50 = 0.03 nM 574.71 CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)Nc3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866912 single protein format
CHEMBL3950249 OBDepict CH 3 N N O HN HN O Cl Cl N O OH IC50 = 0.04 nM 538.39 CCn1nc(-c2cccc(-c3cccc(CC(=O)O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3974515 OBDepict CH 3 N N O HN HN O F Cl Cl N OH IC50 = 0.04 nM 514.34 CCn1nc(-c2cccc(-c3ccc(O)cc3F)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL2012232 OBDepict CH 3 O N O N F F F NH 2 H 3 C H N H O F F F IC50 = 0.04 nM 524.42 COc1ccc(-c2nc(C(=O)NCc3c(F)cc(F)cc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL4095320 OBDepict O NH N NH + N _ O N H O IC50 = 0.045 nM 541.61 O=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4cccc5c4ccc[n+]5[O-])c4c(n3)CCNC4=O)c2)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL3958944 OBDepict CH 3 N N O HN HN O Cl Cl N O NH 2 IC50 = 0.05 nM 523.38 CCn1nc(-c2cccc(-c3cccc(C(N)=O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL2012226 OBDepict H 3 C O N O N F F F H 2 N CH 3 H N H O F F IC50 = 0.05 nM 506.43 COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL3980193 OBDepict CH 3 N N O HN HN O Cl Cl N N H O N CH 3 H 3 C IC50 = 0.05 nM 594.5 CCn1nc(-c2cccc(-c3cccc(C(=O)NCCN(C)C)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3892121 OBDepict CH 3 N N O HN HN O Cl Cl N O OH IC50 = 0.05 nM 538.39 CCn1nc(-c2cccc(-c3ccc(CC(=O)O)cc3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3889823 OBDepict CH 3 N N O HN HN O Cl Cl N OH IC50 = 0.06 nM 496.35 CCn1nc(-c2cccc(-c3ccc(O)cc3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL2012228 OBDepict CH 3 O N O N F F F NH 2 H 3 C H N H O F F IC50 = 0.06 nM 506.43 COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL3920544 OBDepict CH 3 N N O HN HN O Cl Cl F N OH IC50 = 0.06 nM 514.34 CCn1nc(-c2cccc(-c3ccc(O)c(F)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL2337964 OBDepict H 3 C O N N N F F F N H 3 C O O N N H H 3 C H 3 C O IC50 = 0.064 nM 584.6 COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)C4(C)C)c3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343516 single protein format
CHEMBL3963331 OBDepict CH 3 N N O HN HN O Cl Cl N O OH IC50 = 0.07 nM 524.36 CCn1nc(-c2cccc(-c3cccc(C(=O)O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL127944 OBDepict _ O + N O N N IC50 = 0.07 nM 341.37 O=[N+]([O-])c1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1 Homo sapiens CHEMBL4425311 cell-based format
CHEMBL381681 OBDepict H 3 C N N O S O O CH 3 N CH 3 CH 3 IC50 = 0.07 nM 509.63 Cc1noc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1 Homo sapiens CHEMBL860120 single protein format
CHEMBL3984674 OBDepict CH 3 N N O HN HN O Cl Cl N O OH IC50 = 0.08 nM 524.36 CCn1nc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3931354 OBDepict CH 3 N N O HN HN O F Cl Cl N O OH IC50 = 0.08 nM 542.35 CCn1nc(-c2cccc(-c3cc(C(=O)O)ccc3F)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3903604 OBDepict CH 3 N N O HN HN O N Cl Cl HO N IC50 = 0.085 nM 497.34 CCn1nc(-c2cccc(-c3cncc(O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL1830646 OBDepict CH 3 NH H 3 C N O N CH 3 H 3 C NH N N O IC50 = 0.1 nM 450.59 CC(C)Nc1nc2oc3c(NCCCN4CCCC4=O)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833210 single protein format
CHEMBL378681 OBDepict N H 3 C H 3 C N N S O O H 3 C F IC50 = 0.1 nM 563.7 CC(C)(C#N)c1cc(-c2cccc(CN(Cc3ccc(F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866912 single protein format
CHEMBL3745968 OBDepict H 3 C O NH N N O NH N S H 3 C O O CH 3 IC50 = 0.1 nM 401.45 COc1cccc(Nc2c3c(nc4c(C)c(S(C)(=O)=O)nn24)CCNC3=O)c1 Homo sapiens CHEMBL3750622 cell-based format
CHEMBL206968 OBDepict N H 3 C H 3 C N N O N O CH 3 S O O CH 3 IC50 = 0.1 nM 564.67 Cc1cc(C(=O)N(Cc2cccc(-c3cc(C(C)(C)C#N)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)no1 Homo sapiens CHEMBL866912 single protein format
CHEMBL2012218 OBDepict NH 2 O N N H O N O F Cl CH 3 F F F IC50 = 0.1 nM 508.86 COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL2337960 OBDepict H 3 C O N N N F F F N H 3 C O O N NH O IC50 = 0.1 nM 570.57 COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343516 single protein format
CHEMBL377709 OBDepict CH 3 HN H 3 C N O S O O CH 3 N S CH 3 CH 3 O O CH 3 IC50 = 0.1 nM 593.77 CC(C)NC(=O)N(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL866912 single protein format
CHEMBL382168 OBDepict N H 3 C H 3 C N N HN O CH 3 H 3 C S O O CH 3 IC50 = 0.1 nM 540.69 CC(C)NC(=O)N(Cc1cccc(-c2cc(C(C)(C)C#N)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL866912 single protein format
CHEMBL383225 OBDepict N CH 3 CH 3 N N O S O O CH 3 IC50 = 0.1 nM 559.69 CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866912 single protein format
CHEMBL2425826 OBDepict CH 3 S N N N H O F F F Cl Cl N IC50 = 0.11 nM 421.23 CSc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2428563 single protein format
CHEMBL4085121 OBDepict H 3 C N CH 3 HN O N HN O HN N IC50 = 0.11 nM 570.7 CN(C)CCCNC(=O)c1cccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c4c(n3)CCNC4=O)c2)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL3925776 OBDepict CH 3 N N O HN HN O Cl Cl N O NH 2 IC50 = 0.11 nM 523.38 CCn1nc(-c2cccc(-c3ccc(C(N)=O)cc3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL4072212 OBDepict OH O N HN HN O N IC50 = 0.11 nM 486.53 O=C(O)c1ccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c4c(n3)CCNC4=O)c2)cc1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL2012237 OBDepict OH N H H O N O NH 2 H 3 C H N O H 3 C F F F IC50 = 0.11 nM 500.48 COc1ccc(-c2nc(C(=O)N[C@H](CO)c3ccccc3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL3935796 OBDepict CH 3 N N O HN HN O N Cl Cl N O OH IC50 = 0.14 nM 525.35 CCn1nc(-c2cccc(-c3cncc(C(=O)O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3909436 OBDepict CH 3 N N O HN HN O Cl Cl N F O OH IC50 = 0.16 nM 542.35 CCn1nc(-c2cccc(-c3ccc(F)c(C(=O)O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL4074883 OBDepict O HN N HN N N H O IC50 = 0.17 nM 525.61 O=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c4c(n3)CCNC4=O)c2)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL2425741 OBDepict CH 3 N H N N N H O F F F Cl Cl N IC50 = 0.19 nM 404.18 CNc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2428563 single protein format
CHEMBL3746964 OBDepict Cl N H Cl N N N O H 2 N S H 3 C O O N O CH 3 H 3 C IC50 = 0.2 nM 547.42 Cc1c(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)nn2c(Nc3cc(Cl)cc(Cl)c3)c(C(N)=O)cnc12 Homo sapiens CHEMBL3750622 cell-based format
CHEMBL1830643 OBDepict H 3 C NH H 3 C N O N CH 3 CH 3 N H N N O IC50 = 0.2 nM 438.58 CC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833210 single protein format
CHEMBL1828652 OBDepict H 3 C NH H 3 C N O N CH 3 CH 3 N N H N IC50 = 0.2 nM 416.53 CC(C)Nc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833210 single protein format
CHEMBL2425746 OBDepict CH 3 O N N N H O F F Cl Cl N IC50 = 0.2 nM 387.17 COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)F)nn12 Homo sapiens CHEMBL2428563 single protein format
CHEMBL197392 OBDepict CH 3 N S O O CH 3 N CH 3 CH 3 IC50 = 0.2 nM 518.68 Cc1ccc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)nc1 Homo sapiens CHEMBL860120 single protein format
CHEMBL42126 OBDepict CH 3 O O NH O Cl Cl N IC50 = 0.2 nM 381.26 COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1 Homo sapiens CHEMBL846286 assay format
CHEMBL2337976 OBDepict H 3 C O N N N F F F N H 3 C O O N NH H 3 C O IC50 = 0.2 nM 598.63 COc1ccc(C2=NN(CCCCCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343516 single protein format
CHEMBL3747036 OBDepict CH 3 S N N H 3 C N N H O N H Cl Cl IC50 = 0.2 nM 408.31 CSc1nn2c(Nc3cc(Cl)cc(Cl)c3)c3c(nc2c1C)CCNC3=O Homo sapiens CHEMBL3750622 cell-based format
CHEMBL4103412 OBDepict CH 3 O NH N O NH NH O N CH 3 CH 3 IC50 = 0.23 nM 535.65 COc1cccc(Nc2cc(-c3cccc(-c4cccc(C(=O)NCCN(C)C)c4)c3)nc3c2C(=O)NCC3)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL3950166 OBDepict CH 3 N N O N H N H O OH Cl Cl F N IC50 = 0.24 nM 514.34 CCn1nc(-c2cccc(-c3cc(F)ccc3O)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3694420 OBDepict N O N Cl O B O HO O H 3 C IC50 = 0.25 nM 386.6 CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)c(C#N)cc1Cl Homo sapiens CHEMBL3889299 cell-based format
CHEMBL2425761 OBDepict CH 3 O N N N H O F F F Cl Cl N IC50 = 0.27 nM 405.16 COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2428563 single protein format
CHEMBL4066266 OBDepict O HN N HN N N H O IC50 = 0.27 nM 525.61 O=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4ccnc5ccccc45)c4c(n3)CCNC4=O)c2)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL4084511 OBDepict CH 3 O NH N O NH O H 2 N IC50 = 0.28 nM 464.53 COc1cccc(Nc2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)nc3c2C(=O)NCC3)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL371037 OBDepict N H 3 C H 3 C N HN O CH 3 H 3 C S O O CH 3 IC50 = 0.3 nM 537.69 CC(C)NC(=O)/C(=C/c1cccc(-c2cc(C(C)(C)C#N)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL860120 single protein format
CHEMBL2337958 OBDepict CH 3 O N N N F F F N CH 3 O O N HN CH 3 O IC50 = 0.3 nM 584.6 COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343516 single protein format
CHEMBL371089 OBDepict H 3 C HN CH 3 O S O O CH 3 N CH 3 H 3 C IC50 = 0.3 nM 512.68 CC(C)NC(=O)/C(=C/c1cccc(-c2cc(C(C)C)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL860120 single protein format
CHEMBL209295 OBDepict N H 3 C H 3 C N N O O CH 3 H 3 C S O O CH 3 IC50 = 0.3 nM 541.67 CC(C)OC(=O)N(Cc1cccc(-c2cc(C(C)(C)C#N)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL866912 single protein format
CHEMBL197386 OBDepict HO O S O O CH 3 N CH 3 H 3 C IC50 = 0.3 nM 471.58 CC(C)c1cc(-c2cccc(/C=C(/C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL860120 single protein format
CHEMBL197494 OBDepict CH 3 N N O N N H 3 C CH 3 IC50 = 0.3 nM 432.53 Cc1noc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccccn2)n1 Homo sapiens CHEMBL860120 single protein format
CHEMBL196969 OBDepict H 3 C CH 3 N N S S O O H 3 C IC50 = 0.3 nM 510.68 CC(C)c1cc(-c2cccc(/C=C(c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1 Homo sapiens CHEMBL860120 single protein format
CHEMBL198674 OBDepict CH 3 H 3 C N S O O H 3 C HO H 3 C CH 3 IC50 = 0.3 nM 561.75 CC(C)c1cc(-c2cccc(/C=C(/c3ccc(C(C)(C)O)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL860120 single protein format
CHEMBL2012225 OBDepict H 3 C O N O N F F F H 2 N CH 3 H N H O F IC50 = 0.3 nM 488.44 COc1ccc(-c2nc(C(=O)NCc3ccccc3F)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL2012224 OBDepict H 3 C O N O N F F F H 2 N CH 3 H N H O F IC50 = 0.3 nM 488.44 COc1ccc(-c2nc(C(=O)NCc3cccc(F)c3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL4087620 OBDepict O HN N HN N N H O IC50 = 0.32 nM 525.61 O=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4cncc5ccccc45)c4c(n3)CCNC4=O)c2)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL1801156 OBDepict OH O N N N H O O IC50 = 0.35 nM 479.54 O=C(NCC1CC1)c1cn(-c2cccc(-c3ccc(C4CC4C(=O)O)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL2012223 OBDepict CH 3 O N O N F F F NH 2 H 3 C H N H O Cl IC50 = 0.35 nM 504.9 COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c([C@H](C)N)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL3969954 OBDepict CH 3 N N O HN HN O Cl Cl HO N IC50 = 0.35 nM 496.35 CCn1nc(-c2cccc(-c3cccc(O)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3958869 OBDepict CH 3 N N O HN HN O HO Cl Cl N IC50 = 0.35 nM 496.35 CCn1nc(-c2cccc(-c3ccccc3O)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL4092158 OBDepict CH 3 O NH N O NH O HO IC50 = 0.35 nM 465.51 COc1cccc(Nc2cc(-c3cccc(-c4ccc(C(=O)O)cc4)c3)nc3c2C(=O)NCC3)c1 Homo sapiens CHEMBL4038064 single protein format
CHEMBL2012235 OBDepict CH 3 O N O N F F F H 2 N H N H O CH 3 H 3 C F F IC50 = 0.36 nM 534.49 COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c([C@@H](N)C(C)C)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL3985784 OBDepict N HN O N N N H O H 3 C N H O Cl Cl N IC50 = 0.37 nM 588.46 CCn1nc(-c2cccc(-c3cc(C#N)cc(C(=O)NC4CC4)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL3113734 OBDepict F N O N H O H F F H N H O OH H 3 C IC50 = 0.38 nM 499.49 Cc1ccc(O)c(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(F)cnc3Oc3ccc(F)c(F)c3)CC2)c1 Homo sapiens CHEMBL4725676 single protein format
CHEMBL3957296 OBDepict CH 3 N N O HN HN O N Cl Cl N OH IC50 = 0.38 nM 497.34 CCn1nc(-c2cccc(-c3ccc(O)nc3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O Homo sapiens CHEMBL3863950 single protein format
CHEMBL199015 OBDepict F O F O H S N + N OH F F F F F F _ O IC50 = 0.4 nM 570.46 [O-][n+]1cccc(C[C@@H](c2ccc(OC(F)F)c(OC3CC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)c1 Homo sapiens CHEMBL860120 single protein format
CHEMBL198853 OBDepict N H 3 C H 3 C N HN O CH 3 H 3 C S O O CH 3 IC50 = 0.4 nM 537.69 CC(C)NC(=O)/C(=Cc1cccc(-c2cc(C(C)(C)C#N)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL860120 single protein format
CHEMBL207996 OBDepict O HN Cl Cl N N S CH 3 CH 3 O O CH 3 IC50 = 0.4 nM 514.43 CC(C)(c1cc(-c2cccc(C(=O)Nc3c(Cl)cncc3Cl)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL866912 single protein format
CHEMBL4872870 OBDepict HO B O O N F F F IC50 = 0.42 nM 345.08 OB1OCc2cc(Oc3ccc4cc(C(F)(F)F)ccc4n3)ccc21 Homo sapiens CHEMBL4815007 single protein format
CHEMBL4073570 OBDepict O N H N N H + N _ O IC50 = 0.43 nM 382.42 O=C1NCCc2nc(-c3ccccc3)cc(Nc3cccc4c3ccc[n+]4[O-])c21 Homo sapiens CHEMBL4038064 single protein format
CHEMBL2012217 OBDepict NH 2 O N N H O N O F F CH 3 F F F IC50 = 0.46 nM 492.4 COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3F)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015120 single protein format
CHEMBL1801161 OBDepict OH O H H F N N N H O O IC50 = 0.46 nM 483.5 O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@H]4C[C@@H]4C(=O)O)c(F)c3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL372575 OBDepict H 3 C N N O S O O CH 3 N S CH 3 CH 3 O O CH 3 IC50 = 0.5 nM 587.72 Cc1noc(/C(=C/c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1 Homo sapiens CHEMBL860120 single protein format
CHEMBL2337963 OBDepict CH 3 O N N N F F F N H 3 C O O N N H CH 3 O IC50 = 0.5 nM 584.6 COc1ccc(C2=NN(CCCCOc3cccc(C4=NNC(=O)CC4C)c3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343516 single protein format
CHEMBL2337962 OBDepict CH 3 O N N N F F F N CH 3 O O N N H H 3 C H 3 C O IC50 = 0.5 nM 584.6 COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343516 single protein format
CHEMBL198527 OBDepict CH 3 HN H 3 C O S O O CH 3 N S H 3 C H 3 C O O H 3 C IC50 = 0.5 nM 590.77 CC(C)NC(=O)/C(=C/c1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL860120 single protein format
CHEMBL208149 OBDepict O N H N S O O CH 3 S H 3 C H 3 C O O H 3 C IC50 = 0.5 nM 522.65 CC(C)(c1cc(-c2cccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL866912 single protein format
CHEMBL2012216 OBDepict NH 2 O N N H O N O O H 3 C CH 3 F F F IC50 = 0.5 nM 486.45 COc1ccccc1CNC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN Homo sapiens CHEMBL2015120 single protein format
CHEMBL250137 OBDepict NH 2 O N N O N N O CH 3 O F F F N N H CH 3 IC50 = 0.5 nM 543.51 COc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4cc(C)[nH]n4)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL940738 single protein format
CHEMBL2425753 OBDepict CH 3 O N N HN O Cl Cl N IC50 = 0.51 nM 377.23 COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C3CC3)nn12 Homo sapiens CHEMBL2428563 single protein format
CHEMBL1801155 OBDepict HO O N N NH O O F F F IC50 = 0.51 nM 507.47 O=C(NCC(F)(F)F)c1cn(-c2cccc(-c3ccc(C4CC4C(=O)O)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL1801157 OBDepict OH O N N N H O O IC50 = 0.52 nM 479.54 O=C(NC1CCC1)c1cn(-c2cccc(-c3ccc(C4CC4C(=O)O)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL1801160 OBDepict OH O H H F N N N H O O IC50 = 0.53 nM 483.5 O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@@H]4C[C@H]4C(=O)O)c(F)c3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL1801068 OBDepict HO O N N N H O O IC50 = 0.54 nM 465.51 O=C(NC1CC1)c1cn(-c2cccc(-c3cccc(C4CC4C(=O)O)c3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL253083 OBDepict OH O N S CH 3 CH 3 O O CH 3 IC50 = 0.54 nM 485.61 CC(C)(c1cc(-c2cccc(-c3ccc(C4CC4C(=O)O)cc3)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL1801151 OBDepict O HN N O N N N N H N IC50 = 0.55 nM 489.54 O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(C4CC4c4nnn[nH]4)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL4213078 OBDepict F O F O N H O N S IC50 = 0.57 nM 390.41 O=C(Nc1nc2ccccc2s1)c1ccc(OC(F)F)c(OCC2CC2)c1 Homo sapiens CHEMBL4197724 single protein format
CHEMBL1801067 OBDepict OH O N N N H O O IC50 = 0.57 nM 465.51 O=C(NC1CC1)c1cn(-c2cccc(-c3ccc(C4CC4C(=O)O)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805698 single protein format
CHEMBL1801154 OBDepict HO O N N N H O O H 3 C IC50 = 0.58 nM 479.54 CC1(NC(=O)c2cn(-c3cccc(-c4ccc(C5CC5C(=O)O)cc4)c3)c3ncccc3c2=O)CC1 Homo sapiens CHEMBL1805698 single protein format