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P27815 | PDE4A_HUMAN | "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" (PDE4A)

3D structures mapped by conservation among orthologs

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

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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
CHEMBL127944 OBDepict _ O + N O N N IC50 = 0.07 nM 341.37 O=[N+]([O-])c1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1 Homo sapiens CHEMBL763044 cell-based 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 CHEMBL866234 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 CHEMBL866234 single protein format
CHEMBL380321 OBDepict N H 3 C H 3 C N N N H O S O O CH 3 IC50 = 0.1 nM 574.71 CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)Nc3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866234 single protein format
CHEMBL3676245 OBDepict CH 3 O N N N O N H O Cl Cl N IC50 = 0.1 nM 488.38 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NC4CCCC4)CC3)nc12 Homo sapiens CHEMBL3706019 single protein format
CHEMBL2402362 OBDepict CH 3 HN N N N N H N N N N CH 3 IC50 = 0.15 nM 313.37 CNc1nc(NC2(C#N)CCCCC2C)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based format
CHEMBL381681 OBDepict H 3 C N N O S O O CH 3 N CH 3 CH 3 IC50 = 0.16 nM 509.63 Cc1noc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1 Homo sapiens CHEMBL860119 single protein format
CHEMBL514564 OBDepict O HN N O N Cl N Cl O CH 3 IC50 = 0.17 nM 529.38 CC(=O)c1cccc(-c2cccc(-n3cc(C(=O)Nc4nccc(Cl)c4Cl)c(=O)c4cccnc43)c2)c1 Homo sapiens CHEMBL984533 cell-based format
CHEMBL383225 OBDepict N CH 3 CH 3 N N O S O O CH 3 IC50 = 0.2 nM 559.69 CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866234 single protein format
CHEMBL3676246 OBDepict CH 3 O N N N O N H O Cl Cl H 3 C CH 3 N IC50 = 0.2 nM 462.34 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NC(C)C)CC3)nc12 Homo sapiens CHEMBL3706019 single protein format
CHEMBL3676244 OBDepict H 3 C O N N N O N H O Cl Cl N H 3 C CH 3 H 3 C IC50 = 0.2 nM 490.39 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCC(C)(C)C)CC3)nc12 Homo sapiens CHEMBL3706019 single protein format
CHEMBL339083 OBDepict _ N + N N N N IC50 = 0.2 nM 337.39 [N-]=[N+]=Nc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1 Homo sapiens CHEMBL763044 cell-based format
CHEMBL2402363 OBDepict H 3 C NH N N N HN N N N N CH 3 IC50 = 0.2 nM 313.37 CNc1nc(NC2(C#N)CCCC(C)C2)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based 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 CHEMBL860119 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 CHEMBL3706263 cell-based format
CHEMBL3639751 OBDepict CH 3 HN O N N N O CH 3 O Cl Cl N IC50 = 0.3 nM 462.34 CCCNC(=O)C1(c2nc3c(OC)ccc(C(=O)Cc4c(Cl)cncc4Cl)n3n2)CC1 Homo sapiens CHEMBL3706019 single protein format
CHEMBL418416 OBDepict H 3 C N H NH O H O O N CH 3 IC50 = 0.3 nM 459.59 CCNC(=O)Nc1cccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 Homo sapiens CHEMBL765482 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 CHEMBL860119 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 CHEMBL860119 single protein format
CHEMBL165889 OBDepict F O F O F F N N + N CH 3 _ O H 3 C H IC50 = 0.3 nM 541.55 C[C@H](c1ccccc1)N(C)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 Homo sapiens CHEMBL765476 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 = 0.3 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 CHEMBL866234 single protein format
CHEMBL1830646 OBDepict CH 3 NH H 3 C N O N CH 3 H 3 C NH N N O IC50 = 0.3 nM 450.59 CC(C)Nc1nc2oc3c(NCCCN4CCCC4=O)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833211 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 CHEMBL866234 single protein format
CHEMBL519193 OBDepict H 3 C HN CH 3 O N O N O CH 3 IC50 = 0.34 nM 425.49 CC(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)cc1 Homo sapiens CHEMBL984533 cell-based 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 CHEMBL1805697 single protein format
CHEMBL464804 OBDepict CH 3 NH H 3 C O N O N O CH 3 IC50 = 0.37 nM 425.49 CC(=O)c1cccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1 Homo sapiens CHEMBL984533 cell-based 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 CHEMBL4725712 single protein format
CHEMBL3676243 OBDepict CH 3 O N N N O N H O Cl Cl N N IC50 = 0.4 nM 511.37 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccncc4)CC3)nc12 Homo sapiens CHEMBL3706019 single protein format
CHEMBL198674 OBDepict CH 3 H 3 C N S O O H 3 C HO H 3 C CH 3 IC50 = 0.4 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 CHEMBL860119 single protein format
CHEMBL419236 OBDepict _ N + N N N N N I IC50 = 0.4 nM 452.26 [N-]=[N+]=Nc1cccc(-c2cc(Cn3cnc(I)c3)cc3cccnc23)c1 Homo sapiens CHEMBL763044 cell-based format
CHEMBL2112296 OBDepict F O F O S N OH F F F F F F + N _ O IC50 = 0.4 nM 570.46 [O-][n+]1ccc(CC(c2ccc(OC(F)F)c(OC3CC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1 Homo sapiens CHEMBL677056 cell-based format
CHEMBL2402361 OBDepict CH 3 HN N N N NH N N N N IC50 = 0.42 nM 313.37 CNc1nc(NC2(C#N)CCCCCC2)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based format
CHEMBL199015 OBDepict F O F O H S N + N OH F F F F F F _ O Ki = 0.43 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 CHEMBL862008 single protein format
CHEMBL456171 OBDepict Cl N N N H O O Cl Cl N IC50 = 0.45 nM 445.69 O=C(Nc1c(Cl)cncc1Cl)c1cn(-c2ccc(Cl)cc2)c2ncccc2c1=O Homo sapiens CHEMBL984533 cell-based 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 CHEMBL1805697 single protein format
CHEMBL196969 OBDepict H 3 C CH 3 N N S S O O H 3 C IC50 = 0.47 nM 510.68 CC(C)c1cc(-c2cccc(/C=C(c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1 Homo sapiens CHEMBL860119 single protein format
CHEMBL199015 OBDepict F O F O H S N + N OH F F F F F F _ O IC50 = 0.5 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 CHEMBL677056 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 = 0.5 nM 438.58 CC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833211 single protein format
CHEMBL3676240 OBDepict CH 3 O N N N O N H O Cl Cl N IC50 = 0.5 nM 510.38 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccccc4)CC3)nc12 Homo sapiens CHEMBL3706019 single protein format
CHEMBL310303 OBDepict F O F O S N OH H 3 C H 3 C + N _ O IC50 = 0.5 nM 476.55 CC(C)(O)c1ncc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1 Homo sapiens CHEMBL677056 cell-based format
CHEMBL36348 OBDepict F O F O F F + N O _ O F IC50 = 0.5 nM 531.48 [O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 Homo sapiens CHEMBL765477 cell-based format
CHEMBL197494 OBDepict CH 3 N N O N N H 3 C CH 3 IC50 = 0.5 nM 432.53 Cc1noc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccccn2)n1 Homo sapiens CHEMBL860119 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 CHEMBL1805697 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 CHEMBL1805697 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 CHEMBL1805697 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 CHEMBL1805697 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 CHEMBL1805697 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 CHEMBL1805697 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 CHEMBL1805697 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 CHEMBL1805697 single protein format
CHEMBL193240 OBDepict F O F O N H O Cl Cl N IC50 = 0.59 nM 403.21 O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 Homo sapiens CHEMBL1833211 single protein format
CHEMBL207996 OBDepict O HN Cl Cl N N S CH 3 CH 3 O O CH 3 IC50 = 0.6 nM 514.43 CC(C)(c1cc(-c2cccc(C(=O)Nc3c(Cl)cncc3Cl)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL866234 single protein format
CHEMBL165687 OBDepict H 3 C N H 3 C H N O O + N F F _ O F F IC50 = 0.6 nM 555.57 CCN(c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)[C@H](C)c1ccccc1 Homo sapiens CHEMBL765476 cell-based format
CHEMBL318502 OBDepict O N N N N IC50 = 0.6 nM 352.4 O=c1c2c(ncn2Cc2ccccc2)c2cccnc2n1-c1ccccc1 Homo sapiens CHEMBL763044 cell-based format
CHEMBL484753 OBDepict CH 3 N H CH 3 O N O N S O O CH 3 IC50 = 0.62 nM 461.54 CC(C)NC(=O)c1cn(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL984533 cell-based format
CHEMBL1801159 OBDepict OH O H H N N N H O O IC50 = 0.66 nM 465.51 O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@H]4C[C@@H]4C(=O)O)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805697 single protein format
CHEMBL81491 OBDepict F O F O N N OH H 3 C H 3 C O IC50 = 0.7 nM 456.49 CC(C)(O)c1ccc(C(CC2=CCC(=O)N=C2)c2ccc(OC(F)F)c(OC3CC3)c2)cn1 Homo sapiens CHEMBL677056 cell-based format
CHEMBL3676242 OBDepict CH 3 O N N N O N H O Cl Cl N N IC50 = 0.7 nM 511.37 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4cccnc4)CC3)nc12 Homo sapiens CHEMBL3706019 single protein format
CHEMBL485547 OBDepict CH 3 S N N N H O O H 3 C CH 3 IC50 = 0.75 nM 429.55 CSc1ccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)cc1 Homo sapiens CHEMBL984533 cell-based format
CHEMBL452578 OBDepict F O F O F F N H + N _ O H 3 C H 3 C IC50 = 0.8 nM 540.56 CC(C)(Nc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1)c1ccccc1 Homo sapiens CHEMBL999604 single protein format
CHEMBL3694410 OBDepict N O N Cl O O CH 3 B O OH IC50 = 0.8 nM 386.6 CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)c(Cl)cc1C#N Homo sapiens CHEMBL3706263 cell-based format
CHEMBL371037 OBDepict N H 3 C H 3 C N HN O CH 3 H 3 C S O O CH 3 IC50 = 0.8 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 CHEMBL860119 single protein format
CHEMBL162485 OBDepict F O F O F F N N + N CH 3 _ O IC50 = 0.8 nM 513.49 CN(c1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 Homo sapiens CHEMBL765476 cell-based format
CHEMBL294717 OBDepict F O F O F F N + N OH _ O H 3 C CH 3 IC50 = 0.8 nM 556.56 CC(C)C(O)(c1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 Homo sapiens CHEMBL764361 single protein format
CHEMBL351187 OBDepict F O F O F F N N H + N _ O H 3 C H 3 C IC50 = 0.8 nM 541.55 CC(C)(Nc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1 Homo sapiens CHEMBL765476 cell-based format
CHEMBL299931 OBDepict F O F O F F N + N OH _ O IC50 = 0.8 nM 590.57 [O-][n+]1ccc(CC(c2ccc(C(O)(c3ccccc3)c3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 Homo sapiens CHEMBL764361 single protein format
CHEMBL2112295 OBDepict F O F O S N HO F F F F F F + N _ O IC50 = 0.8 nM 584.49 [O-][n+]1ccc(CC(c2ccc(OC(F)F)c(OC3CCC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1 Homo sapiens CHEMBL677056 cell-based format
CHEMBL35562 OBDepict H 3 C O O H N N S O O IC50 = 0.8 nM 492.64 COc1ccc([C@H](Cc2ccncc2)c2ccc(N3CCCS3(=O)=O)cc2)cc1OC1CCCC1 Homo sapiens CHEMBL765482 single protein format
CHEMBL2402509 OBDepict H 3 C NH N H 3 C N N HN N N CH 3 N N IC50 = 0.81 nM 287.33 CCC(C#N)(CC)Nc1nc(NC)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based format
CHEMBL1801071 OBDepict HO O CH 3 H 3 C N N HN O O IC50 = 0.85 nM 481.55 CC(C)(CC(=O)O)c1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc1 Homo sapiens CHEMBL1805697 single protein format
CHEMBL1801070 OBDepict HO O CH 3 CH 3 N N HN O O IC50 = 0.88 nM 481.55 CC(C)(Cc1ccc(-c2cccc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cc1)C(=O)O Homo sapiens CHEMBL1805697 single protein format
CHEMBL2402511 OBDepict N N H N N HN N N CH 3 N N IC50 = 0.89 nM 311.35 CNc1nc(NC(C#N)(C2CC2)C2CC2)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based 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 = 0.9 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 CHEMBL860119 single protein format
CHEMBL1828652 OBDepict H 3 C NH H 3 C N O N CH 3 CH 3 N N H N IC50 = 0.9 nM 416.53 CC(C)Nc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833211 single protein format
CHEMBL78806 OBDepict F O F O N + N OH H 3 C H 3 C _ O IC50 = 1.0 nM 470.52 CC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cn1 Homo sapiens CHEMBL677056 cell-based format
CHEMBL198853 OBDepict N H 3 C H 3 C N HN O CH 3 H 3 C S O O CH 3 IC50 = 1.0 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 CHEMBL860119 single protein format
CHEMBL3676241 OBDepict CH 3 O N N N O N H O Cl Cl N N IC50 = 1.0 nM 511.37 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccccn4)CC3)nc12 Homo sapiens CHEMBL3706019 single protein format
CHEMBL2402358 OBDepict N N H N N NH N N H 3 C N N H 3 C IC50 = 1.0 nM 313.37 CNc1nc(NC2(C#N)CCCCC2)nc(-n2cnc(C)n2)n1 Homo sapiens CHEMBL2406783 cell-based format
CHEMBL378681 OBDepict N H 3 C H 3 C N N S O O H 3 C F IC50 = 1.0 nM 563.7 CC(C)(C#N)c1cc(-c2cccc(CN(Cc3ccc(F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866234 single protein format
CHEMBL57524 OBDepict CH 3 OH N O O + N F F _ O F F IC50 = 1.0 nM 542.53 CCC(O)(c1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 Homo sapiens CHEMBL760597 single protein format
CHEMBL1801158 OBDepict OH O H H N N N H O O IC50 = 1.0 nM 465.51 O=C(NC1CC1)c1cn(-c2cccc(-c3ccc([C@@H]4C[C@H]4C(=O)O)cc3)c2)c2ncccc2c1=O Homo sapiens CHEMBL1805697 single protein format
CHEMBL2402366 OBDepict CH 3 HN N CH 3 N N NH N N CH 3 N N IC50 = 1.1 nM 301.36 CCCC(C#N)(CC)Nc1nc(NC)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based format
CHEMBL3694413 OBDepict N O N F F F O O H 3 C CH 3 B O OH IC50 = 1.1 nM 422.17 CC(C)OCCOc1nc(Oc2ccc3c(c2)COB3O)cc(C(F)(F)F)c1C#N Homo sapiens CHEMBL3706263 cell-based format
CHEMBL349635 OBDepict F O F O F F N NH + N _ O IC50 = 1.2 nM 513.49 [O-][n+]1ccc(CC(c2ccc(NCc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 Homo sapiens CHEMBL765476 cell-based format
CHEMBL354931 OBDepict F O F O F F N N + N H 3 C _ O IC50 = 1.2 nM 527.52 CN(Cc1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 Homo sapiens CHEMBL765476 cell-based format
CHEMBL301441 OBDepict F O F O F F N + N OH H 3 C _ O IC50 = 1.2 nM 534.55 CC(O)(c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)C1CCCCC1 Homo sapiens CHEMBL764361 single protein format
CHEMBL4747201 OBDepict CH 3 O N N N O O O O CH 3 CH 3 IC50 = 1.2 nM 421.45 COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OCC(C)C)CC3)nc12 Homo sapiens CHEMBL4676343 single protein format
CHEMBL3694417 OBDepict N O N Cl O O H 3 C H 3 C B O HO IC50 = 1.3 nM 400.63 CC(=O)CCCOc1nc(Oc2cc(C)c3c(c2)COB3O)c(Cl)cc1C#N Homo sapiens CHEMBL3706263 cell-based format
CHEMBL3694412 OBDepict N O N Cl O O B O HO IC50 = 1.3 nM 386.6 N#Cc1cc(Cl)c(Oc2ccc3c(c2)COB3O)nc1OCCOC1CC1 Homo sapiens CHEMBL3706263 cell-based format
CHEMBL323312 OBDepict _ O + N CH 3 O O F F OH F F F F F F F F IC50 = 1.3 nM 587.41 Cc1c[n+]([O-])ccc1CC(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Homo sapiens CHEMBL765476 cell-based 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 = 1.4 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 CHEMBL860119 single protein format
CHEMBL2402360 OBDepict N N H N N NH N N H 3 C N N IC50 = 1.4 nM 285.32 CNc1nc(NC2(C#N)CCCC2)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based format
CHEMBL444865 OBDepict F O F O F F N N + N H 3 C _ O IC50 = 1.5 nM 577.58 CN(Cc1ccc2ccccc2c1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 Homo sapiens CHEMBL765476 cell-based format
CHEMBL549560 OBDepict H 3 C O O N N CH 3 N N O O CH 3 H O IC50 = 1.5 nM 448.48 COc1ccc(OC)c(-c2nnc3ccc(-c4ccc(OC)c(O[C@@H]5CCOC5)c4)nn23)c1 Homo sapiens CHEMBL1036311 single protein format
CHEMBL198432 OBDepict CH 3 O N N IC50 = 1.5 nM 326.4 COc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1 Homo sapiens CHEMBL860119 single protein format
CHEMBL456808 OBDepict CH 3 O N N NH O O H 3 C CH 3 IC50 = 1.54 nM 427.5 CCOc1cccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1 Homo sapiens CHEMBL984533 cell-based format
CHEMBL42126 OBDepict CH 3 O O NH O Cl Cl N IC50 = 1.6 nM 381.26 COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1 Homo sapiens CHEMBL760761 single protein format
CHEMBL2402364 OBDepict H 3 C NH N N N HN N N N N CH 3 IC50 = 1.6 nM 313.37 CNc1nc(NC2(C#N)CCC(C)CC2)nc(-n2cncn2)n1 Homo sapiens CHEMBL2406783 cell-based format
CHEMBL379768 OBDepict CH 3 N O S N O O H 3 C S CH 3 H 3 C O O CH 3 IC50 = 1.6 nM 590.77 CC(c1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)N(C(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL866234 single protein format
CHEMBL2112294 OBDepict F O F O + N OH H 3 C H 3 C _ O IC50 = 1.6 nM 469.53 CC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cc1 Homo sapiens CHEMBL677056 cell-based format