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Q13946 | PDE7A_HUMAN | "High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A" (PDE7A)

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
CHEMBL3360172 OBDepict N N O S N NH N O CH 3 F N IC50 = 0.32 nM 466.54 CCn1c(Nc2ccncc2F)nc2c(C3CCCN(C(=O)C4(C#N)CC4)C3)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL3360170 OBDepict CH 3 O N O S N NH N O CH 3 F N IC50 = 0.68 nM 431.49 CCn1c(Nc2ccncc2F)nc2c(C3CCCN(C(=O)OC)C3)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL3354181 OBDepict H 3 C N N H N O S N N O IC50 = 1.0 nM 425.56 CCn1c(NC2CCCC2)nc2c(-c3ccc(N4CCOCC4)nc3)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3360169 OBDepict CH 3 O N O S N NH N O CH 3 F N IC50 = 1.1 nM 431.49 CCn1c(Nc2ccncc2F)nc2c(C3CCN(C(=O)OC)CC3)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL3360171 OBDepict OH CH 3 CH 3 N O S N N H N O CH 3 F N IC50 = 1.2 nM 473.57 CCn1c(Nc2ccncc2F)nc2c(C3CCCN(C(=O)C(C)(C)CO)C3)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL3924897 OBDepict CH 3 O H 2 N N H + N O H 3 C N IC50 = 1.3 nM 353.45 COc1cc(N)ccc1-c1cc2c(c(=O)[nH]1)C(C1CCCCC1)N=[N+]2C Homo sapiens CHEMBL3706326 single protein format
CHEMBL2019020 OBDepict CH 3 O H 2 N N N H N O H 3 C N IC50 = 1.3 nM 353.43 COc1cc(N)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3403373 OBDepict CH 3 N N H N O S CH 3 CH 3 N O N CH 3 IC50 = 1.4 nM 425.56 CCn1c(NC(C)C)nc2c(C3CCN(C(=O)c4ncccc4C)C3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3403371 OBDepict CH 3 N N H N O S CH 3 CH 3 N O IC50 = 1.5 nM 410.54 CCn1c(NC(C)C)nc2c(C3CCN(C(=O)c4ccccc4)C3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3354179 OBDepict CH 3 N N H N O S N IC50 = 2.0 nM 340.45 CCn1c(NC2CCCC2)nc2c(-c3cccnc3)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL3650287 OBDepict O HN N N N H O S N H 3 C N IC50 = 2.0 nM 424.53 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCNC4=O)nc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3360167 OBDepict CH 3 N N H N O S F N OH H 3 C H 3 C IC50 = 2.1 nM 348.4 CCn1c(Nc2ccncc2F)nc2c(C(C)(C)O)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL3354180 OBDepict H 3 C N N H N O S N O IC50 = 2.3 nM 438.6 CCn1c(NC2CCCC2)nc2c(-c3ccc(CN4CCOCC4)cc3)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3403372 OBDepict CH 3 N N H N O S CH 3 CH 3 N O N IC50 = 2.7 nM 411.53 CCn1c(NC(C)C)nc2c(C3CCN(C(=O)c4ccccn4)C3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL2171440 OBDepict H 3 C O N N H O H 2 N CH 3 N O N IC50 = 3.0 nM 421.5 COc1cc(C2CC2C(N)=O)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 Homo sapiens CHEMBL2174779 single protein format
CHEMBL3650254 OBDepict H 3 C NH N H H N H O S N CH 3 N IC50 = 3.1 nM 457.69 CNC1CCN([C@H]2CC[C@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3403346 OBDepict CH 3 N N H N O S CH 3 CH 3 N O N CH 3 IC50 = 3.3 nM 425.56 CCn1c(NC(C)C)nc2c(C3CCN(C(=O)c4cccc(C)n4)C3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL182536 OBDepict O N H NH Cl O N N O HO IC50 = 3.5 nM 364.79 O=C1Nc2c(Cl)ccc(OCc3noc(O)n3)c2C2(CCCCC2)N1 Homo sapiens CHEMBL828160 cell-based format
CHEMBL3650259 OBDepict H 3 C N O N H H N H O S N H 3 C N IC50 = 3.5 nM 471.67 CC(=O)N1CCN([C@H]2CC[C@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL186868 OBDepict CH 3 N N H 2 N N S N CH 3 N IC50 = 3.9 nM 354.48 Cc1nc(N)c2ccc(-c3nn(C)/c(=N/C4CCCCC4)s3)cc2n1 Homo sapiens CHEMBL828296 cell-based format
CHEMBL3360168 OBDepict OH S N N H N O CH 3 F N IC50 = 3.9 nM 348.4 CCn1c(Nc2ccncc2F)nc2c(CCCO)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL2019104 OBDepict CH 3 O N N N H S O NH N IC50 = 4.0 nM 439.59 COc1cc(N2CCCNCC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL184861 OBDepict O N H NH Cl O N N N N H IC50 = 4.0 nM 348.79 O=C1Nc2c(Cl)ccc(OCc3nn[nH]n3)c2C2(CCCCC2)N1 Homo sapiens CHEMBL828160 cell-based format
CHEMBL3650301 OBDepict H 3 C N O N O H H N H O S N N CH 3 IC50 = 4.0 nM 457.6 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4C(=O)CN(C)C4=O)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3354171 OBDepict H 3 C N N H N O S N IC50 = 4.2 nM 364.47 CCn1c(NC2CCCC2)nc2c(C#Cc3cccnc3)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3403358 OBDepict CH 3 N N H N O S CH 3 CH 3 N IC50 = 4.4 nM 314.41 CCn1c(NC(C)C)nc2c(-c3cccnc3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3650322 OBDepict N N N H O S HO N H 3 C N IC50 = 4.5 nM 463.61 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3403361 OBDepict CH 3 O N S N N H N O CH 3 CH 3 CH 3 IC50 = 4.6 nM 344.44 CCn1c(NC(C)C)nc2c(-c3ccnc(OC)c3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3354178 OBDepict H 3 C N N H N O S O O CH 3 IC50 = 4.9 nM 397.5 CCn1c(NC2CCCC2)nc2c(-c3ccc(C(=O)OC)cc3)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3354177 OBDepict H 3 C O O S N N H N O H 3 C IC50 = 5.0 nM 397.5 CCn1c(NC2CCCC2)nc2c(-c3cccc(C(=O)OC)c3)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3650313 OBDepict O NH N HN O S N H 3 C N IC50 = 5.0 nM 437.57 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3403367 OBDepict CH 3 N N H N O S CH 3 CH 3 N O H 3 C IC50 = 5.1 nM 362.5 CCn1c(NC(C)C)nc2c(C3CCCN(C(C)=O)C3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3354175 OBDepict CH 3 N N H N O S IC50 = 5.6 nM 339.46 CCn1c(NC2CCCC2)nc2c(-c3ccccc3)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3670399 OBDepict CH 3 O NH 2 N N H O CH 3 N N IC50 = 5.67 nM 353.43 COc1cc(N)ccc1-c1nc2c(C)nn(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL3706326 single protein format
CHEMBL3650267 OBDepict H 3 C N O N O N H O S N N H 3 C IC50 = 6.1 nM 451.55 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4C(=O)CN(C)C4=O)cc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3403360 OBDepict H 3 C N NH N O S CH 3 H 3 C S H 3 C N CH 3 IC50 = 6.4 nM 348.5 CCn1c(NC(C)C)nc2c(-c3sc(C)nc3C)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3650258 OBDepict O N H S H N CH 3 N H N HN IC50 = 6.5 nM 429.63 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCNCC4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3950502 OBDepict O HN S N N CH 3 N O O NH IC50 = 6.5 nM 457.6 Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(CN4C(=O)CNC4=O)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3646898 OBDepict O N N O N O O O F F O H 3 C H 3 C IC50 = 6.7 nM 489.48 COc1ccc(Cn2c(=O)c3cc(OC(F)F)ccc3n(C3CCN(C=O)CC3)c2=O)cc1OC Homo sapiens CHEMBL3706021 single protein format
CHEMBL3403365 OBDepict CH 3 N N H N O S CH 3 CH 3 N N IC50 = 6.8 nM 397.55 CCn1c(NC(C)C)nc2c(C3CCN(c4ccccn4)CC3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3650257 OBDepict H 2 N N H H N H O S N H 3 C N IC50 = 6.8 nM 443.66 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCC(N)CC4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019109 OBDepict CH 3 O N N N H S O N OH IC50 = 7.0 nM 454.6 COc1cc(N2CCCC(O)CC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3650323 OBDepict OH N O HO N H O S N H 3 C N IC50 = 7.2 nM 482.61 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C(=O)O)c3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3354173 OBDepict CH 3 N N H N O S N IC50 = 7.3 nM 368.51 CCn1c(NC2CCCC2)nc2c(CCc3cccnc3)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3403362 OBDepict CH 3 N N H N O S CH 3 CH 3 N N IC50 = 7.6 nM 315.4 CCn1c(NC(C)C)nc2c(-c3cncnc3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3936324 OBDepict O N H N H O S N CH 3 N IC50 = 7.8 nM 428.6 Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)NC4CC4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3937956 OBDepict CH 3 HN O HN O S N CH 3 N IC50 = 7.8 nM 402.56 CNC(=O)C1CCC(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)CC1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019106 OBDepict CH 3 O N N N H S O N NH 2 IC50 = 8.0 nM 439.59 COc1cc(N2CCC(N)CC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3647495 OBDepict H 3 C N N N H O S N CH 3 N IC50 = 8.0 nM 451.64 Cc1nn(C2CCCCCC2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3403370 OBDepict H 3 C N NH N O S CH 3 H 3 C N O CH 3 CH 3 IC50 = 8.1 nM 390.55 CCn1c(NC(C)C)nc2c(C3CCN(C(=O)CC(C)C)C3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3403369 OBDepict CH 3 N HN N O S CH 3 CH 3 N O CH 3 H 3 C IC50 = 8.4 nM 376.53 CCn1c(NC(C)C)nc2c(C3CCN(C(=O)C(C)C)C3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL3650256 OBDepict CH 3 N H 3 C N H H N H O S N H 3 C N IC50 = 8.6 nM 471.72 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCC(N(C)C)CC4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3360166 OBDepict CH 3 N N H N O S F N OH H 3 C IC50 = 8.7 nM 334.38 CCn1c(Nc2ccncc2F)nc2c(C(C)O)csc2c1=O Homo sapiens CHEMBL3374135 single protein format
CHEMBL3650319 OBDepict HO N N N H O S N CH 3 N IC50 = 8.7 nM 439.59 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)nc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650260 OBDepict H 3 C N N F NH O S N N H 3 C IC50 = 8.9 nM 469.63 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCCN(C)CC4)c(F)c3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650298 OBDepict O NH N H H N H O S N H 3 C N IC50 = 8.9 nM 429.59 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCNC4=O)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3647491 OBDepict H 3 C N N N H O S N CH 3 N IC50 = 9.0 nM 437.61 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019103 OBDepict CH 3 O N N N H S O HN N IC50 = 9.0 nM 425.56 COc1cc(N2CCNCC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3965715 OBDepict O NH S N H 3 C N N O IC50 = 9.0 nM 430.62 Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(N4CCOCC4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650300 OBDepict O HN S H N CH 3 N H N S O O IC50 = 9.9 nM 464.66 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCCS4(=O)=O)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL185101 OBDepict CH 3 O HN NH Cl O IC50 = 10.0 nM 280.76 COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 Homo sapiens CHEMBL828160 cell-based format
CHEMBL3650240 OBDepict H 3 C N N F N H O S N CH 3 N IC50 = 10.0 nM 455.6 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)c(F)c3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL427152 OBDepict O NH HN Cl Cl IC50 = 10.0 nM 285.17 O=C1Nc2c(Cl)ccc(Cl)c2C2(CCCCC2)N1 Homo sapiens CHEMBL828298 cell-based format
CHEMBL3647478 OBDepict O NH S N H 3 C N N HN IC50 = 10.0 nM 423.59 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCNCC4)cc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL182703 OBDepict O N H NH Cl IC50 = 10.0 nM 326.83 O=C1Nc2c(Cl)cc(-c3ccccc3)cc2C2(CCCCC2)N1 Homo sapiens CHEMBL828298 cell-based format
CHEMBL1911576 OBDepict NH 2 O N H O N O N H O F Cl IC50 = 10.0 nM 466.86 NC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1 Homo sapiens CHEMBL1912922 cell-based format
CHEMBL183102 OBDepict O NH HN Cl HO IC50 = 10.0 nM 266.73 O=C1Nc2c(Cl)ccc(O)c2C2(CCCCC2)N1 Homo sapiens CHEMBL828160 cell-based format
CHEMBL185304 OBDepict O N H NH Cl O HO IC50 = 10.0 nM 370.84 O=C1Nc2c(Cl)cc(-c3ccc(C(=O)O)cc3)cc2C2(CCCCC2)N1 Homo sapiens CHEMBL832271 cell-based format
CHEMBL183465 OBDepict CH 3 N N O Cl HN N H O IC50 = 10.0 nM 452.99 CN1CCN(C(=O)c2ccc(-c3cc(Cl)c4c(c3)C3(CCCCC3)NC(=O)N4)cc2)CC1 Homo sapiens CHEMBL832271 cell-based format
CHEMBL182617 OBDepict CH 3 N H 3 C HN O Cl N H HN O IC50 = 10.0 nM 455.0 CN(C)CCCNC(=O)c1cccc(-c2cc(Cl)c3c(c2)C2(CCCCC2)NC(=O)N3)c1 Homo sapiens CHEMBL832271 cell-based format
CHEMBL3647494 OBDepict H 3 C NH S O O N H O S N H 3 C N IC50 = 10.0 nM 432.57 CNS(=O)(=O)c1cccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)c1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL365447 OBDepict O N H HN Cl O O O OH IC50 = 10.0 nM 390.82 O=C1Nc2c(Cl)ccc(OCc3ccc(C(=O)O)o3)c2C2(CCCCC2)N1 Homo sapiens CHEMBL828160 cell-based format
CHEMBL360627 OBDepict O HN N H Cl O S O O OH IC50 = 10.0 nM 388.87 O=C1Nc2c(Cl)ccc(OCCCS(=O)(=O)O)c2C2(CCCCC2)N1 Homo sapiens CHEMBL828160 cell-based format
CHEMBL359890 OBDepict CH 3 O O O O NH N H Cl O IC50 = 10.0 nM 418.88 CCOC(=O)c1ccc(COc2ccc(Cl)c3c2C2(CCCCC2)NC(=O)N3)o1 Homo sapiens CHEMBL828160 cell-based format
CHEMBL3650255 OBDepict H 3 C N O CH 3 N H H HN O S N H 3 C N IC50 = 10.0 nM 499.73 CC(=O)N(C)C1CCN([C@H]2CC[C@H](NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)CC2)CC1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019108 OBDepict CH 3 O N N N H S O N OH IC50 = 11.0 nM 440.57 COc1cc(N2CCC(O)CC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3650321 OBDepict OH N CH 3 N H O S N CH 3 N IC50 = 11.0 nM 452.62 Cc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1N1CCC(O)CC1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019125 OBDepict H 3 C O N N N H S O N H 2 N IC50 = 12.0 nM 453.61 CCOc1cc(N2CCC(N)CC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3647479 OBDepict CH 3 N O N HN O S N CH 3 N IC50 = 12.0 nM 465.62 CC(=O)N1CCN(c2ccc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)cc2)CC1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019113 OBDepict CH 3 O N N N H S O N N O H 3 C IC50 = 12.0 nM 481.62 COc1cc(N2CCCN(C(C)=O)CC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3403359 OBDepict CH 3 N HN N O S CH 3 CH 3 O IC50 = 12.0 nM 303.39 CCn1c(NC(C)C)nc2c(-c3ccco3)csc2c1=O Homo sapiens CHEMBL3404605 cell-based format
CHEMBL1911579 OBDepict F N Cl N N H O O H O S O O CH 3 IC50 = 12.0 nM 501.92 CS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1 Homo sapiens CHEMBL1912922 cell-based format
CHEMBL2171423 OBDepict CH 3 O N N N H NH CH 3 N O N IC50 = 12.0 nM 436.56 COc1cc(N2CCCNCC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 Homo sapiens CHEMBL2174779 single protein format
CHEMBL3354182 OBDepict H 3 C N N H N O S N O N O O CH 3 H 3 C CH 3 IC50 = 12.0 nM 461.59 CCn1c(NC2CCCC2)nc2c(N3CCN(C(=O)OC(C)(C)C)CC3=O)csc2c1=O Homo sapiens CHEMBL3375790 cell-based format
CHEMBL3650277 OBDepict O N H CH 3 H 3 C N H O S N H 3 C N IC50 = 13.0 nM 402.56 Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CC[C@@H](C(=O)N(C)C)C3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650253 OBDepict O N H S H N CH 3 N H N H CH 3 O H H 3 C IC50 = 13.0 nM 458.67 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4C[C@H](C)O[C@H](C)C4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL1911559 OBDepict F N Cl N N H O O H O N O IC50 = 13.0 nM 508.94 O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2c(F)cccc2Cl)c2ccc(=O)[nH]c2c1=O Homo sapiens CHEMBL1912922 cell-based format
CHEMBL3650325 OBDepict OH N H O N NH O S N CH 3 N IC50 = 13.0 nM 427.53 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)NCCO)nc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3647465 OBDepict H 3 C N CH 3 O HN O S N H 3 C N IC50 = 14.0 nM 410.54 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019021 OBDepict CH 3 O H 2 N N N H S O N IC50 = 14.0 nM 356.45 COc1cc(N)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3650244 OBDepict CH 3 HN N F N H O S N H 3 C N IC50 = 14.0 nM 469.63 CNC1CCN(c2ccc(NC(=O)c3cc4c(C)nn(C5CCCCC5)c4s3)cc2F)CC1 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650299 OBDepict O N O H H N H O S N CH 3 N IC50 = 14.0 nM 442.59 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4C(=O)CCC4=O)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3647503 OBDepict H 3 C N N H O S N CH 3 N IC50 = 14.0 nM 436.63 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C4CCN(C)CC4)cc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019134 OBDepict CH 3 O NH 2 N N H S O N F Cl IC50 = 14.0 nM 402.84 COc1cc(N)ccc1-c1nc2snc(-c3c(F)cccc3Cl)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format
CHEMBL3908383 OBDepict OH N O HN O S N H 3 C N IC50 = 15.0 nM 472.66 Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N4CCC(O)CC4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650289 OBDepict O N H S N N H 3 C H N O O N H IC50 = 15.0 nM 443.57 Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CC[C@H](CN4C(=O)CNC4=O)C3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650247 OBDepict H 3 C N N H H N H O S N N CH 3 IC50 = 15.0 nM 457.69 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCCN(C)CC4)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3647492 OBDepict H 3 C N N N N H O S N CH 3 N IC50 = 15.0 nM 438.6 Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL3650297 OBDepict O O N H H N H O S N H 3 C N IC50 = 15.0 nM 430.57 Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCOC4=O)CC3)cc12 Homo sapiens CHEMBL3706063 cell-based format
CHEMBL2019122 OBDepict CH 3 O N N N H S O HN O N IC50 = 15.0 nM 439.54 COc1cc(N2CCNC(=O)C2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 Homo sapiens CHEMBL2019815 single protein format