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Q14432 | PDE3A_HUMAN | "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" (PDE3A)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL338860 OBDepict O N H N H H 3 C N H O + N O _ O IC50 = 0.11 nM 508.58 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3-c3cccc([N+](=O)[O-])c3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL339210 OBDepict O N H N H H 3 C N H O S IC50 = 0.11 nM 469.61 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3-c3ccsc3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL2337969 OBDepict H 3 C N N O CH 3 N N O O N N H CH 3 O IC50 = 0.27 nM 530.63 CCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3)ccc(OC)n2n1 Homo sapiens CHEMBL2343517 single protein format
CHEMBL131355 OBDepict O NH N H 3 C N H O I IC50 = 0.33 nM 513.38 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL131111 OBDepict CH 3 O O N H N HN CH 3 O IC50 = 0.39 nM 417.51 COc1ccccc1CC1=C(Nc2ccc(C3=NNC(=O)CC3C)cc2)CCCC1=O Homo sapiens CHEMBL761480 assay format
CHEMBL338381 OBDepict O N H N CH 3 N H O F F F IC50 = 0.83 nM 455.48 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3C(F)(F)F)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL128621 OBDepict O NH N H 3 C N H O Br IC50 = 0.94 nM 466.38 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(Br)c3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL128391 OBDepict O N H N CH 3 F N HO IC50 = 1.2 nM 405.47 CC1CC(=O)NN=C1c1ccc(/N=C2CCCC(O)=C2Cc2ccccc2)c(F)c1 Homo sapiens CHEMBL761480 assay format
CHEMBL2337953 OBDepict H 3 C N N O CH 3 N N CH 3 O O N N H CH 3 O IC50 = 1.2 nM 544.66 CCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3C)ccc(OC)n2n1 Homo sapiens CHEMBL2343517 single protein format
CHEMBL128456 OBDepict O NH N H H 3 C NH O IC50 = 1.3 nM 387.48 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL130026 OBDepict O N H N CH 3 F F N H O IC50 = 1.6 nM 423.46 CC1CC(=O)NN=C1c1cc(F)c(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL338179 OBDepict O NH N H 3 C F N H O IC50 = 1.6 nM 405.47 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL2337971 OBDepict H 3 C N N O H 3 C N N H 3 C H 3 C O O N N H CH 3 O IC50 = 1.7 nM 544.66 CCc1cc2c(C3=NN(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)C3(C)C)ccc(OC)n2n1 Homo sapiens CHEMBL2343517 single protein format
CHEMBL4741180 OBDepict H N N N N O N N N NH 2 N O H IC50 = 1.89 nM 353.35 Nc1nc2c(ncn2CCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4758355 OBDepict H N N N N O N N N N H 2 N IC50 = 2.17 nM 337.35 Nc1ncnc2c1ncn2CCCOc1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL129668 OBDepict O NH Cl Cl F N HN CH 3 CH 3 O IC50 = 2.2 nM 474.36 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3c(Cl)cccc3Cl)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL129255 OBDepict H 3 C O O NH N N H CH 3 O IC50 = 2.3 nM 417.51 COc1ccc(CC2=C(Nc3ccc(C4=NNC(=O)CC4C)cc3)CCCC2=O)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL4783647 OBDepict H N N N N O N O N H O IC50 = 2.41 nM 328.33 O=c1ccn(CCCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL2337970 OBDepict H 3 C N N O CH 3 N N O O N N H CH 3 O IC50 = 2.7 nM 528.61 CCc1cc2c(-c3ccc(=O)n(CCCCOc4ccc(C5=NNC(=O)CC5C)cc4)n3)ccc(OC)n2n1 Homo sapiens CHEMBL2343517 single protein format
CHEMBL341231 OBDepict O NH N H 3 C N H O F IC50 = 2.8 nM 405.47 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(F)c3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL129692 OBDepict CH 3 N O HN HN O O IC50 = 2.9 nM 337.38 CC1CC(=O)NN=C1c1ccc(NC(=O)OCc2ccccc2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL341354 OBDepict O HN N CH 3 N H O + N O _ O IC50 = 3.1 nM 432.48 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc([N+](=O)[O-])c3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL131939 OBDepict O NH N H 3 C CH 3 N HO IC50 = 3.7 nM 401.51 Cc1cc(C2=NNC(=O)CC2C)ccc1/N=C1CCCC(O)=C1Cc1ccccc1 Homo sapiens CHEMBL761480 assay format
CHEMBL3946861 OBDepict H 3 C S N N N N NH H Br IC50 = 3.76 nM 490.43 CCSc1ncc(-c2cc(-c3ccc(Br)cc3)[nH]c(=N)c2C#N)n1Cc1ccccc1 Homo sapiens CHEMBL3877848 single protein format
CHEMBL799 OBDepict O N H O N N N N IC50 = 3.89 nM 369.47 O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4792000 OBDepict H N N N N O N N N N NH 2 IC50 = 3.91 nM 351.37 Nc1ncnc2c1ncn2CCCCOc1ccc(-c2nnn[nH]2)cc1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4777633 OBDepict H N N N N O N O N H O IC50 = 4.0 nM 314.31 O=c1ccn(CCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4783087 OBDepict H N N N N O N N O N N CH 3 CH 3 O IC50 = 4.74 nM 396.41 Cn1c(=O)c2c(ncn2CCCCOc2ccc(-c3nnn[nH]3)cc2)n(C)c1=O Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4796669 OBDepict H N N N N O N N O N H O IC50 = 5.08 nM 315.29 O=c1cnn(CCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4754536 OBDepict H N N N N O S N N H O IC50 = 5.13 nM 344.4 O=c1ccnc(SCCCCOc2ccc(-c3nnn[nH]3)cc2)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4757288 OBDepict H N N N N O N N O N N CH 3 CH 3 O IC50 = 5.83 nM 382.38 Cn1c(=O)c2c(ncn2CCCOc2ccc(-c3nnn[nH]3)cc2)n(C)c1=O Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4862024 OBDepict CH 3 O F F F N N H H H 3 C O O IC50 = 6.0 nM 302.25 CCOc1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F Homo sapiens CHEMBL4827628 cell-based format
CHEMBL4748046 OBDepict H N N N N O S N N H O IC50 = 6.22 nM 330.37 O=c1ccnc(SCCCOc2ccc(-c3nnn[nH]3)cc2)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4752339 OBDepict H N N N N O N O O N N CH 3 H 3 C N IC50 = 6.29 nM 382.38 Cn1cnc2c1c(=O)n(CCCOc1ccc(-c3nnn[nH]3)cc1)c(=O)n2C Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4761400 OBDepict H N N N N O N O O N N CH 3 H 3 C N IC50 = 6.5 nM 396.41 Cn1cnc2c1c(=O)n(CCCCOc1ccc(-c3nnn[nH]3)cc1)c(=O)n2C Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4760080 OBDepict H N N N N O N N O N H O IC50 = 6.78 nM 329.32 O=c1cnn(CCCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL4876937 OBDepict O N H O N H H 3 C O F F F F F F IC50 = 7.0 nM 370.25 C[C@@H]1OC(=O)NN=C1c1ccc(OCCC(F)(F)F)c(C(F)(F)F)c1 Homo sapiens CHEMBL4827628 cell-based format
CHEMBL4747854 OBDepict H N N N N O N N N NH 2 N O H IC50 = 7.15 nM 367.37 Nc1nc2c(ncn2CCCCOc2ccc(-c3nnn[nH]3)cc2)c(=O)[nH]1 Homo sapiens CHEMBL4726107 cell-based format
CHEMBL130081 OBDepict O HN Cl F N NH H 3 C H 3 C O IC50 = 7.2 nM 439.92 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3Cl)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL129283 OBDepict N OH N F F N HN CH 3 CH 3 O IC50 = 7.6 nM 448.47 CC1(C)C(=O)NN=C1c1ccc(/N=C2CCCC(O)=C2Cc2cccc(C#N)c2)c(F)c1F Homo sapiens CHEMBL761480 assay format
CHEMBL4877229 OBDepict CH 3 O F F F N N H H H 3 C O O IC50 = 8.0 nM 316.28 CCCOc1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F Homo sapiens CHEMBL4827628 cell-based format
CHEMBL1819121 OBDepict CH 3 O O CH 3 N N N IC50 = 8.5 nM 349.43 COc1cc2ncnc(N3CCCC(c4ccccc4)C3)c2cc1OC Homo sapiens CHEMBL1820383 single protein format
CHEMBL4853029 OBDepict O N H O N H H 3 C O F F F F CH 3 H IC50 = 9.0 nM 334.27 C[C@@H]1OC(=O)NN=C1c1ccc(OC[C@@H](C)F)c(C(F)(F)F)c1 Homo sapiens CHEMBL4827628 cell-based format
CHEMBL2337954 OBDepict H 3 C N N O CH 3 N N CH 3 O O N HN CH 3 O IC50 = 11.0 nM 530.63 CCc1cc2c(C3=NN(CCCOc4ccc(C5=NNC(=O)CC5C)cc4)C(=O)CC3C)ccc(OC)n2n1 Homo sapiens CHEMBL2343517 single protein format
CHEMBL1683806 OBDepict CH 3 S N H O O N CH 3 N H CH 3 CH 3 O IC50 = 14.8 nM 371.46 C/C(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 Homo sapiens CHEMBL1685985 single protein format
CHEMBL128017 OBDepict O N H N H H 3 C N H O F F F IC50 = 15.0 nM 375.35 C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL2337958 OBDepict CH 3 O N N N F F F N CH 3 O O N HN CH 3 O IC50 = 15.0 nM 584.6 COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343517 single protein format
CHEMBL34431 OBDepict O N CH 3 O N HO IC50 = 16.0 nM 342.44 CN(C(=O)CCCOc1ccc2nc(O)ccc2c1)C1CCCCC1 Homo sapiens CHEMBL761480 assay format
CHEMBL131672 OBDepict O HN F F N NH H 3 C H 3 C O IC50 = 16.0 nM 423.46 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3F)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL3360172 OBDepict N N O S N NH N O CH 3 F N IC50 = 17.0 nM 466.54 CCn1c(Nc2ccncc2F)nc2c(C3CCCN(C(=O)C4(C#N)CC4)C3)csc2c1=O Homo sapiens CHEMBL3374139 single protein format
CHEMBL128485 OBDepict O N H F N NH H 3 C H 3 C O IC50 = 20.0 nM 405.47 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL421249 OBDepict O N H N CH 3 CH 3 N H O IC50 = 22.0 nM 401.51 Cc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)CC1C Homo sapiens CHEMBL761480 assay format
CHEMBL2017060 OBDepict CH 3 O O H 3 C N N S N N O O Ki = 24.0 nM 440.53 COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N4CCCOCC4)s3)ncn1CC2 Homo sapiens CHEMBL2020846 single protein format
CHEMBL128338 OBDepict O NH N H 3 C N H O + N O _ O IC50 = 24.0 nM 432.48 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccc([N+](=O)[O-])cc3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL129691 OBDepict H 3 C O NH O N HN H CH 3 O IC50 = 24.0 nM 275.31 CCOC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL3360170 OBDepict CH 3 O N O S N NH N O CH 3 F N IC50 = 29.0 nM 431.49 CCn1c(Nc2ccncc2F)nc2c(C3CCCN(C(=O)OC)C3)csc2c1=O Homo sapiens CHEMBL3374139 single protein format
CHEMBL3360171 OBDepict OH CH 3 CH 3 N O S N N H N O CH 3 F N IC50 = 37.0 nM 473.57 CCn1c(Nc2ccncc2F)nc2c(C3CCCN(C(=O)C(C)(C)CO)C3)csc2c1=O Homo sapiens CHEMBL3374139 single protein format
CHEMBL4745282 OBDepict O N S N N H IC50 = 38.0 nM 365.5 O=C(c1cc2c(s1)CCCC2)N1CCCC(c2ccnc3[nH]ccc23)C1 Homo sapiens CHEMBL4672633 cell-based format
CHEMBL129689 OBDepict O N H CH 3 N N H CH 3 H 3 C O IC50 = 38.0 nM 401.51 Cc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C Homo sapiens CHEMBL761480 assay format
CHEMBL129407 OBDepict F O N H F N NH H 3 C H 3 C O IC50 = 43.0 nM 423.46 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(F)c3)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL341327 OBDepict O HN N H CH 3 N H CH 3 O IC50 = 44.0 nM 311.39 CC1=C(Nc2ccc(C3=NNC(=O)C[C@H]3C)cc2)CCCC1=O Homo sapiens CHEMBL761480 assay format
CHEMBL128783 OBDepict O NH N H 3 C Cl N H O IC50 = 46.0 nM 421.93 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1Cl Homo sapiens CHEMBL761480 assay format
CHEMBL263642 OBDepict CH 3 O O CH 3 N N N H O Ki = 48.0 nM 401.47 COc1cc2ncnc(N3CC[C@@H](Oc4cccc5ccccc45)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL128619 OBDepict O N H N NH H 3 C H 3 C O IC50 = 53.0 nM 387.48 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL4755779 OBDepict O N S N N N N F F IC50 = 56.0 nM 417.49 O=C(c1cc2c(s1)CCCC2)N1CCCC(c2cc(C(F)F)nc3ncnn23)C1 Homo sapiens CHEMBL4672633 cell-based format
CHEMBL219451 OBDepict CH 3 O O H N N N O CH 3 O CH 3 Ki = 61.0 nM 395.46 CCOc1cccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)c1 Homo sapiens CHEMBL909386 cell-based format
CHEMBL128263 OBDepict F O HN F N NH H 3 C H 3 C O IC50 = 63.0 nM 423.46 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccc(F)cc3)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL3663741 OBDepict H 3 C O O N H HN H O O S N N H IC50 = 68.0 nM 474.54 CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1 Homo sapiens CHEMBL3887116 cell-based format
CHEMBL128877 OBDepict N O N H F N NH H 3 C H 3 C O IC50 = 69.0 nM 430.48 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(C#N)c3)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 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 = 72.0 nM 598.63 COc1ccc(C2=NN(CCCCCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343517 single protein format
CHEMBL260006 OBDepict CH 3 O O CH 3 N N N H O N Ki = 77.0 nM 352.39 COc1cc2ncnc(N3CC[C@@H](Oc4ccccn4)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL340118 OBDepict O HN Cl Cl N NH H 3 C H 3 C O IC50 = 77.0 nM 456.37 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3Cl)C(=O)CCC2)cc1Cl Homo sapiens CHEMBL761480 assay format
CHEMBL4761967 OBDepict O N S H N N N N IC50 = 89.0 nM 367.48 O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2ccnc3ncnn23)C1 Homo sapiens CHEMBL4672633 cell-based format
CHEMBL4764406 OBDepict O N S N N N N CH 3 CH 3 IC50 = 89.0 nM 409.56 CC(C)c1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ncnc2n1 Homo sapiens CHEMBL4672633 cell-based format
CHEMBL340785 OBDepict CH 3 N H O N N H H H 3 C O IC50 = 96.0 nM 245.28 CC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 Homo sapiens CHEMBL761480 assay format
CHEMBL1819122 OBDepict H 3 C O O CH 3 N N N IC50 = 98.0 nM 377.49 CCCOc1cc2c(N3CCCC(c4ccccc4)C3)ncnc2cc1OC Homo sapiens CHEMBL1820383 single protein format
CHEMBL2017059 OBDepict H 3 C O O CH 3 N N S N N O O Ki = 99.0 nM 426.5 COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N4CCOCC4)s3)ncn1CC2 Homo sapiens CHEMBL2020846 single protein format
CHEMBL262088 OBDepict CH 3 O O CH 3 N N N H O CH 3 Ki < 100.0 nM 365.43 COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL428445 OBDepict CH 3 O O CH 3 N N N H O F F F Ki < 100.0 nM 419.4 COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C(F)(F)F)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL427777 OBDepict CH 3 O O CH 3 N N N H O O H 3 C Ki < 100.0 nM 381.43 COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4OC)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL409484 OBDepict CH 3 O O CH 3 N N N H O N Ki < 100.0 nM 376.42 COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C#N)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL408978 OBDepict CH 3 O O CH 3 N N N H O Cl Ki < 100.0 nM 385.85 COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4Cl)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL131118 OBDepict CH 3 N H N N H CH 3 O O IC50 = 101.0 nM 415.54 CCc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)CC1C Homo sapiens CHEMBL761480 assay format
CHEMBL263641 OBDepict CH 3 O O CH 3 N N N H O N Ki = 104.0 nM 402.45 COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ncccc5c4)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL4742646 OBDepict H 3 C N N N N N O S IC50 = 112.0 nM 381.51 Cc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ncnc2n1 Homo sapiens CHEMBL4672633 cell-based format
CHEMBL409862 OBDepict CH 3 O O CH 3 O H N N N O CH 3 O CH 3 Ki = 121.0 nM 411.46 COc1ccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL341160 OBDepict N O N H CH 3 N N H CH 3 H 3 C O IC50 = 130.0 nM 426.52 Cc1cc(NC2=C(Cc3cccc(C#N)c3)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C Homo sapiens CHEMBL761480 assay format
CHEMBL2337956 OBDepict CH 3 O N N N F F F N CH 3 O O N HN CH 3 O IC50 = 130.0 nM 556.55 COc1ccc(C2=NN(CCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343517 single protein format
CHEMBL2017078 OBDepict CH 3 O N N O CH 3 O CH 3 Ki = 136.0 nM 336.39 COc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1 Homo sapiens CHEMBL2020846 single protein format
CHEMBL2069609 OBDepict CH 3 O N N N F F F HN CH 3 CH 3 O IC50 = 140.0 nM 326.28 COc1ccc(C2=NNC(=O)C2(C)C)n2cc(C(F)(F)F)nc12 Homo sapiens CHEMBL2072150 single protein format
CHEMBL2337957 OBDepict CH 3 O N N N F F F N CH 3 O O N HN CH 3 O IC50 = 140.0 nM 570.57 COc1ccc(C2=NN(CCCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12 Homo sapiens CHEMBL2343517 single protein format
CHEMBL408977 OBDepict CH 3 O O CH 3 N N N H O Ki = 141.0 nM 391.47 COc1cc2ncnc(N3CC[C@@H](Oc4ccc5c(c4)CCC5)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL2017066 OBDepict CH 3 O O CH 3 N N S N N O Ki = 148.0 nM 412.52 COc1cc2c(cc1OC)-c1c(-c3cnc(CN4CCOCC4)s3)ncn1CC2 Homo sapiens CHEMBL2020846 single protein format
CHEMBL2017057 OBDepict H 3 C O O CH 3 N N S N N O H 3 C H 3 C H 3 C CH 3 Ki = 149.0 nM 426.54 COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N(C)C(C)(C)C)s3)ncn1CC2 Homo sapiens CHEMBL2020846 single protein format
CHEMBL129600 OBDepict O HN + N O _ O F N NH H 3 C H 3 C O IC50 = 150.0 nM 450.47 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc([N+](=O)[O-])c3)C(=O)CCC2)cc1F Homo sapiens CHEMBL761480 assay format
CHEMBL1946933 OBDepict CH 3 O N S N F F F HN CH 3 O IC50 = 150.0 nM 343.33 COc1ccc(C2=NNC(=O)CC2C)c2sc(C(F)(F)F)nc12 Homo sapiens CHEMBL1949475 single protein format
CHEMBL220185 OBDepict CH 3 O O CH 3 N N N H O N Ki = 151.0 nM 402.45 COc1cc2ncnc(N3CC[C@@H](Oc4cc5ccccc5cn4)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL409651 OBDepict CH 3 O O CH 3 N N N H O N H 3 C Ki = 152.0 nM 416.48 COc1cc2ncnc(N3CC[C@@H](Oc4ccc5nc(C)ccc5c4)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format
CHEMBL375200 OBDepict H 3 C O O H N N N O CH 3 O CH 3 Ki = 161.0 nM 395.46 CCOc1ccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1 Homo sapiens CHEMBL909386 cell-based format
CHEMBL385754 OBDepict CH 3 O O CH 3 N N N H O N N Cl Ki = 162.0 nM 387.83 COc1cc2ncnc(N3CC[C@@H](Oc4ncc(Cl)cn4)C3)c2cc1OC Homo sapiens CHEMBL909386 cell-based format