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Q08499 | PDE4D_HUMAN | "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" (PDE4D)

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
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 CHEMBL1833212 single protein 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 CHEMBL866914 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 CHEMBL866914 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 CHEMBL866914 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 CHEMBL866914 single protein format
CHEMBL196969 OBDepict H 3 C CH 3 N N S S O O H 3 C IC50 = 0.19 nM 510.68 CC(C)c1cc(-c2cccc(/C=C(c3ccc(S(C)(=O)=O)cc3)c3nccs3)c2)c2ncccc2c1 Homo sapiens CHEMBL860122 single protein format
CHEMBL1223687 OBDepict OH O O N O F F IC50 = 0.2 nM 435.43 O=C(O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1 Homo sapiens CHEMBL1226046 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 CHEMBL860122 single protein format
CHEMBL381681 OBDepict H 3 C N N O S O O CH 3 N CH 3 CH 3 IC50 = 0.2 nM 509.63 Cc1noc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1 Homo sapiens CHEMBL860122 single protein format
CHEMBL193240 OBDepict F O F O N H O Cl Cl N IC50 = 0.27 nM 403.21 O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 Homo sapiens CHEMBL1833212 single protein format
CHEMBL383225 OBDepict N CH 3 CH 3 N N O S O O CH 3 IC50 = 0.3 nM 559.69 CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)c3ccccc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866914 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 CHEMBL866914 single protein format
CHEMBL593656 OBDepict CH 3 O O H 3 C N N H H O N O ClH IC50 = 0.3 nM 512.05 COc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC.Cl Homo sapiens CHEMBL1041602 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 CHEMBL1805699 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 CHEMBL4725677 single protein format
CHEMBL1224717 OBDepict CH 3 O O O N O H 3 C IC50 = 0.4 nM 413.47 COC(=O)Cc1ccc(OCc2cc(-c3cccc(OC)c3)c3ncccc3c2)cc1 Homo sapiens CHEMBL1226046 single protein format
CHEMBL1830643 OBDepict H 3 C NH H 3 C N O N CH 3 CH 3 N H N N O IC50 = 0.4 nM 438.58 CC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833212 single protein format
CHEMBL594108 OBDepict CH 3 O O CH 3 N N H H O N N IC50 = 0.4 nM 406.49 COc1ccc(C2=NN(C/C=C/Cn3ccnc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based 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 CHEMBL860122 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 CHEMBL1805699 single protein format
CHEMBL197386 OBDepict HO O S O O CH 3 N CH 3 H 3 C IC50 = 0.5 nM 471.58 CC(C)c1cc(-c2cccc(/C=C(/C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL860122 single protein format
CHEMBL198674 OBDepict CH 3 H 3 C N S O O H 3 C HO H 3 C CH 3 IC50 = 0.5 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 CHEMBL860122 single protein format
CHEMBL378681 OBDepict N H 3 C H 3 C N N S O O H 3 C F IC50 = 0.5 nM 563.7 CC(C)(C#N)c1cc(-c2cccc(CN(Cc3ccc(F)cc3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1 Homo sapiens CHEMBL866914 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 = 0.5 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 CHEMBL860122 single protein format
CHEMBL1828652 OBDepict H 3 C NH H 3 C N O N CH 3 CH 3 N N H N IC50 = 0.5 nM 416.53 CC(C)Nc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833212 single protein format
CHEMBL4534321 OBDepict F O F O N N + N _ O HN O H 3 C IC50 = 0.5 nM 534.56 CC(=O)Nc1cccc(-c2ccn(C(Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OCC4CC4)c3)n2)c1 Homo sapiens CHEMBL4425323 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 CHEMBL1805699 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 CHEMBL1805699 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 CHEMBL1805699 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 CHEMBL1805699 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 CHEMBL1805699 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 CHEMBL1805699 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 CHEMBL1805699 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 CHEMBL1805699 single protein format
CHEMBL1221434 OBDepict F O F N O HO H 3 C CH 3 IC50 = 0.6 nM 463.52 CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1 Homo sapiens CHEMBL1226046 single protein format
CHEMBL371089 OBDepict H 3 C HN CH 3 O S O O CH 3 N CH 3 H 3 C IC50 = 0.6 nM 512.68 CC(C)NC(=O)/C(=C/c1cccc(-c2cc(C(C)C)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL860122 single protein format
CHEMBL197494 OBDepict CH 3 N N O N N H 3 C CH 3 IC50 = 0.6 nM 432.53 Cc1noc(/C(=C/c2cccc(-c3cc(C(C)C)cc4cccnc34)c2)c2ccccn2)n1 Homo sapiens CHEMBL860122 single protein 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 CHEMBL1805699 single protein format
CHEMBL594109 OBDepict CH 3 O O CH 3 N N H H O N N IC50 = 0.7 nM 456.55 COc1ccc(C2=NN(Cc3ccc(Cn4ccnc4)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based format
CHEMBL2012219 OBDepict NH 2 O N N H O N O F CH 3 F F F F IC50 = 0.7 nM 492.4 COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(CN)o2)c2ccc(C(F)(F)F)nc12 Homo sapiens CHEMBL2015123 single protein format
CHEMBL207996 OBDepict O HN Cl Cl N N S CH 3 CH 3 O O CH 3 IC50 = 0.7 nM 514.43 CC(C)(c1cc(-c2cccc(C(=O)Nc3c(Cl)cncc3Cl)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL866914 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 = 0.7 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 CHEMBL860122 single protein format
CHEMBL4213295 OBDepict CH 3 O Cl N N O IC50 = 0.78 nM 358.87 COc1ccc(C2=NN(C3CCCC3)C(=O)C3CC=CCC23)cc1Cl Homo sapiens CHEMBL4196367 single protein format
CHEMBL42126 OBDepict CH 3 O O NH O Cl Cl N IC50 = 0.8 nM 381.26 COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1 Homo sapiens CHEMBL761826 single protein format
CHEMBL1223686 OBDepict F O F N O S O O CH 3 IC50 = 0.8 nM 455.48 CS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1 Homo sapiens CHEMBL1226046 single protein format
CHEMBL4784121 OBDepict CH 3 O N N N N H O O O CH 3 CH 3 IC50 = 0.8 nM 420.47 COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)NCC(C)C)CC3)nc12 Homo sapiens CHEMBL4676336 single protein 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 CHEMBL1805699 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 CHEMBL1805699 single protein format
CHEMBL1223685 OBDepict N O N O F F IC50 = 0.9 nM 430.45 N#CCCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1 Homo sapiens CHEMBL1226046 single protein format
CHEMBL595064 OBDepict CH 3 O O H 3 C N N H H O N O IC50 = 0.9 nM 487.6 COc1ccc(C2=NN(Cc3ccc(CN4CCC(=O)CC4)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based format
CHEMBL593877 OBDepict CH 3 O O H 3 C N N H H O N O IC50 = 0.9 nM 475.59 COc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based format
CHEMBL74078 OBDepict _ O + N O N N O OH IC50 = 1.0 nM 371.35 O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc([N+](=O)[O-])c3)n2)cc1 Homo sapiens CHEMBL761828 assay 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 CHEMBL1805699 single protein format
CHEMBL595272 OBDepict CH 3 O O CH 3 N N H H O N O IC50 = 1.0 nM 477.61 COc1ccc(C2=NN(Cc3ccccc3CN3CCOCC3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based format
CHEMBL3315084 OBDepict CH 3 O O CH 3 O O N H O Cl Cl N IC50 = 1.0 nM 475.33 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)Nc2ccccc2)c1OC Homo sapiens CHEMBL3375590 single protein format
CHEMBL2171452 OBDepict CH 3 O O N N CH 3 H 3 C O O N N N N H IC50 = 1.2 nM 546.67 COc1ccc(C2=NN(C3CCCCCC3)C(=O)C2(C)C)cc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 Homo sapiens CHEMBL2174795 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 = 1.2 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 CHEMBL860122 single protein format
CHEMBL596447 OBDepict CH 3 O O CH 3 N N H H O N O O IC50 = 1.3 nM 531.65 COc1ccc(C2=NN(Cc3ccc(CN4CCC5(CC4)OCCO5)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based format
CHEMBL1830790 OBDepict CH 3 HN N O N CH 3 CH 3 N N H N IC50 = 1.3 nM 402.5 CCNc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833212 single protein format
CHEMBL592931 OBDepict CH 3 O O CH 3 N N H H O N O IC50 = 1.3 nM 475.59 COc1ccc(C2=NN(Cc3ccccc3CN3CCOCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 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 = 1.4 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 CHEMBL866914 single protein format
CHEMBL596394 OBDepict CH 3 O O H 3 C N N H H O N O IC50 = 1.4 nM 475.59 COc1ccc(C2=NN(Cc3cccc(CN4CCOCC4)c3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based format
CHEMBL1830644 OBDepict CH 3 NH N O N H 3 C H 3 C N H N N O IC50 = 1.5 nM 436.56 CCNc1nc2oc3c(NCCCN4CCCC4=O)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833212 single protein format
CHEMBL77826 OBDepict OH O N N N N O IC50 = 1.5 nM 368.35 O=C(O)c1ccc(-c2cc3cccnc3c(-c3ccc4nonc4c3)n2)cc1 Homo sapiens CHEMBL761828 assay format
CHEMBL1255597 OBDepict HO N N S N N N O N H 3 C CH 3 O IC50 = 1.8 nM 526.71 CC1(C)CCc2c(N3CCOCC3)nc3sc4c(N(CCO)CCN5CCOCC5)ncnc4c3c2C1 Homo sapiens CHEMBL1261003 assay format
CHEMBL3327325 OBDepict F O F O HN O S Cl Cl N O O IC50 = 1.8 nM 521.37 O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCSC2CCOC2=O)c1 Homo sapiens CHEMBL3374902 single protein format
CHEMBL564209 OBDepict H 3 C O O N N CH 3 N N S O O CH 3 H O IC50 = 1.9 nM 468.54 COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(O[C@@H]4CCOC4)c2)CS3)c1 Homo sapiens CHEMBL1036322 single protein format
CHEMBL198732 OBDepict H 3 C N N O S O O CH 3 N S CH 3 CH 3 O O CH 3 IC50 = 1.9 nM 587.72 Cc1noc(/C(=Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)n1 Homo sapiens CHEMBL860122 single protein format
CHEMBL161465 OBDepict _ O + N O N N IC50 = 2.0 nM 327.34 O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)cc3cccnc23)c1 Homo sapiens CHEMBL761827 assay format
CHEMBL1224721 OBDepict N O N O H 3 C IC50 = 2.0 nM 394.47 COc1cccc(-c2cc(COc3ccc(CCC#N)cc3)cc3cccnc23)c1 Homo sapiens CHEMBL1226046 single protein format
CHEMBL595038 OBDepict CH 3 O O H 3 C N N H H O N N H 3 C IC50 = 2.0 nM 488.63 COc1ccc(C2=NN(Cc3ccc(CN4CCN(C)CC4)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1041602 cell-based format
CHEMBL370220 OBDepict O S HN O N N IC50 = 2.0 nM 451.55 O=S(=O)(Nc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1)c1ccccc1 Homo sapiens CHEMBL860122 single protein format
CHEMBL463431 OBDepict Br N N O H H O O H 3 C CH 3 IC50 = 2.0 nM 435.36 COc1ccc(C2=NN(CCCCCBr)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1038444 single protein format
CHEMBL4740828 OBDepict CH 3 O N N N O O O O IC50 = 2.0 nM 447.49 COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCCCC4)CC3)nc12 Homo sapiens CHEMBL4676336 single protein format
CHEMBL161115 OBDepict Cl N N O OH IC50 = 2.0 nM 360.8 O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc(Cl)c3)n2)cc1 Homo sapiens CHEMBL761827 assay format
CHEMBL4474098 OBDepict H 3 C O O H N ClH IC50 = 2.1 nM 409.96 COc1ccc([C@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1.Cl Homo sapiens CHEMBL4419182 single protein format
CHEMBL549560 OBDepict H 3 C O O N N CH 3 N N O O CH 3 H O IC50 = 2.1 nM 448.48 COc1ccc(OC)c(-c2nnc3ccc(-c4ccc(OC)c(O[C@@H]5CCOC5)c4)nn23)c1 Homo sapiens CHEMBL1036322 single protein format
CHEMBL4779112 OBDepict N N N N O CH 3 HN O H 3 C CH 3 IC50 = 2.1 nM 389.46 COc1ccc(-c2cccc(C#N)c2)n2nc(C3(C(=O)NCC(C)C)CC3)nc12 Homo sapiens CHEMBL4676336 single protein format
CHEMBL32442 OBDepict H 3 C O O H N IC50 = 2.1 nM 373.5 COc1ccc([C@H](Cc2ccncc2)c2ccccc2)cc1OC1CCCC1 Homo sapiens CHEMBL860122 single protein format
CHEMBL463431 OBDepict Br N N O H H O O H 3 C CH 3 Ki = 2.3 nM 435.36 COc1ccc(C2=NN(CCCCCBr)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC Homo sapiens CHEMBL1023029 single protein format
CHEMBL1830638 OBDepict HO N N O N N N O N H 3 C CH 3 O IC50 = 2.3 nM 510.64 CC1(C)CCc2c(N3CCOCC3)nc3oc4c(N(CCO)CCN5CCOCC5)ncnc4c3c2C1 Homo sapiens CHEMBL1833212 single protein format
CHEMBL208236 OBDepict O N H S O O CH 3 N S H 3 C H 3 C O O H 3 C IC50 = 2.3 nM 522.65 CC(C)(c1cc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL866914 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 = 2.3 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 CHEMBL860122 single protein format
CHEMBL480988 OBDepict Br N N O O O H 3 C CH 3 IC50 = 2.3 nM 435.36 COc1ccc(C2=NN(CCCCCBr)C(=O)C3CC=CCC23)cc1OC Homo sapiens CHEMBL1011740 single protein format
CHEMBL323312 OBDepict _ O + N CH 3 O O F F OH F F F F F F F F IC50 = 2.4 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 CHEMBL4419182 single protein format
CHEMBL4750576 OBDepict H 3 C O N N N O O O O IC50 = 2.5 nM 461.52 COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCCCCC4)CC3)nc12 Homo sapiens CHEMBL4676336 single protein format
CHEMBL4740242 OBDepict CH 3 O N N N O O O O IC50 = 2.5 nM 433.46 COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OC4CCCC4)CC3)nc12 Homo sapiens CHEMBL4676336 single protein format
CHEMBL198432 OBDepict CH 3 O N N IC50 = 2.5 nM 326.4 COc1cccc(-c2cc(Cc3ccncc3)cc3cccnc23)c1 Homo sapiens CHEMBL860122 single protein format
CHEMBL4297527 OBDepict F O F O N H O N Cl Cl + N _ O IC50 = 2.7 nM 440.19 O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2oc3ccncc3c12 Homo sapiens CHEMBL4419182 single protein format
CHEMBL307646 OBDepict HO N H O O N O O CH 3 IC50 = 2.7 nM 320.35 COc1ccc(C2=NOC(C(=O)NO)C2)cc1OC1CCCC1 Homo sapiens CHEMBL761826 single protein format
CHEMBL1830641 OBDepict CH 3 HN N O N CH 3 CH 3 HN N N O IC50 = 2.7 nM 424.55 CCNc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 Homo sapiens CHEMBL1833212 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 = 2.8 nM 522.65 CC(C)(c1cc(-c2cccc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL866914 single protein format
CHEMBL3605513 OBDepict N N N N O IC50 = 3.0 nM 316.36 N#Cc1cccc(-c2nc(N3CCOCC3)cc3cccnc23)c1 Homo sapiens CHEMBL3607152 single protein format
CHEMBL351613 OBDepict _ O + N O N N N IC50 = 3.0 nM 328.33 O=[N+]([O-])c1cccc(-c2nc(-c3cccnc3)cc3cccnc23)c1 Homo sapiens CHEMBL761827 assay format
CHEMBL3315083 OBDepict CH 3 O O O H 3 C O N H O Cl Cl N IC50 = 3.0 nM 489.36 COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCc2ccccc2)c1OC Homo sapiens CHEMBL3375590 single protein format
CHEMBL3182164 OBDepict F O N H CH 3 H O O OH N O O O IC50 = 3.0 nM 454.41 C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O Homo sapiens CHEMBL4709042 single protein format
CHEMBL383837 OBDepict O HN N N S CH 3 CH 3 O O CH 3 IC50 = 3.0 nM 445.54 CC(C)(c1cc(-c2cccc(C(=O)Nc3ccncc3)c2)c2ncccc2c1)S(C)(=O)=O Homo sapiens CHEMBL866914 single protein format
CHEMBL1257189 OBDepict CH 3 CH 3 N S N O N HN N O IC50 = 3.1 nM 463.61 CC1(C)CCc2c(-c3ccoc3)nc3sc4c(NCCN5CCOCC5)ncnc4c3c2C1 Homo sapiens CHEMBL1261003 assay format
CHEMBL4568146 OBDepict O N H O N N Cl Cl N F IC50 = 3.5 nM 443.27 O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ncccc12 Homo sapiens CHEMBL4419182 single protein format
CHEMBL4747201 OBDepict CH 3 O N N N O O O O CH 3 CH 3 IC50 = 3.8 nM 421.45 COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OCC(C)C)CC3)nc12 Homo sapiens CHEMBL4676336 single protein format