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P15428 | PGDH_HUMAN | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (HPGD)

3D structures mapped by conservation among orthologs

[ Domain: "NAD(P)-binding Rossmann-fold domains" // adh_short_C2 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4072253 OBDepict H 3 C + S _ O S H 2 N N S IC50 = 1.0 nM 336.51 CCCC[S+]([O-])c1sc2nc(-c3cccs3)ccc2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4060121 OBDepict CH 3 + S _ O S NH 2 N N N S IC50 = 1.0 nM 414.58 CCCC[S+]([O-])c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4070789 OBDepict H 3 C + S _ O S H 2 N N N N S N H 3 C H 3 C IC50 = 1.3 nM 431.61 CCCC[S@@+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4097930 OBDepict CH 3 + S _ O S NH 2 N N O IC50 = 1.4 nM 397.53 CCCC[S+]([O-])c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4070824 OBDepict CH 3 + S _ O S NH 2 N N S IC50 = 1.4 nM 413.59 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4091103 OBDepict CH 3 + S _ O S NH 2 N S IC50 = 1.5 nM 412.61 CCCC[S@@+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4071206 OBDepict H 3 C + S _ O S H 2 N N N S N S IC50 = 1.8 nM 420.61 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4092806 OBDepict H 3 C + S _ O S H 2 N N N N N S H 3 C IC50 = 1.8 nM 417.59 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4065035 OBDepict H 3 C O + S _ O S H 2 N N N N S N H 3 C H 3 C IC50 = 1.8 nM 433.58 COCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4060870 OBDepict CH 3 + S _ O S NH 2 N N S O OH IC50 = 1.9 nM 473.65 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(OCCO)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4076321 OBDepict H 3 C + S _ O S NH 2 N N N S N CH 3 IC50 = 2.0 nM 457.65 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(C4CC4)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4076946 OBDepict CH 3 O O N S NH 2 S + S _ O CH 3 IC50 = 2.0 nM 394.54 CCC[S+]([O-])c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4087830 OBDepict H 3 C + S _ O S H 2 N N S IC50 = 2.1 nM 398.58 CCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4082770 OBDepict CH 3 + S _ O S NH 2 N N S N H N H O CH 3 IC50 = 2.1 nM 513.71 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(CNC(=O)NCC)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4090222 OBDepict H 3 C O + S _ O S H 2 N N S IC50 = 2.1 nM 428.6 COCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4061483 OBDepict CH 3 + S _ O S NH 2 N S IC50 = 2.2 nM 412.61 CCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4059682 OBDepict H 3 C + S _ O S H 2 N N N N S N H H 3 C IC50 = 2.3 nM 417.59 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(C)[nH]3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4087985 OBDepict CH 3 + S _ O S NH 2 N N S IC50 = 2.4 nM 413.59 CCCC[S+]([O-])c1sc2nc(-c3cccs3)nc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4073304 OBDepict H 3 C + S _ O S H 2 N N N S HO IC50 = 2.5 nM 443.62 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(CO)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4078333 OBDepict CH 3 + S _ O S NH 2 N N S N H O CH 3 IC50 = 2.5 nM 484.67 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(CNC(C)=O)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4065965 OBDepict CH 3 + S _ O S NH 2 N N S N IC50 = 2.6 nM 414.58 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cccnc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4092188 OBDepict CH 3 + S _ O S NH 2 N N N O IC50 = 2.6 nM 398.51 CCCC[S+]([O-])c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4072938 OBDepict H 3 C + S _ O S H 2 N N S IC50 = 2.6 nM 426.63 CCCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4091755 OBDepict CH 3 + S _ O S NH 2 N N S N N CH 3 CH 3 H 3 C IC50 = 2.8 nM 445.64 CCCC[S+]([O-])c1sc2nc(-c3nc(C)cs3)cc(-c3cnc(C)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4083695 OBDepict H 3 C + S _ O S H 2 N N N S HO IC50 = 2.9 nM 457.65 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(CCO)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4099821 OBDepict _ O + S S H 3 C CH 3 NH 2 N S IC50 = 3.2 nM 398.58 CC(C)[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4082396 OBDepict H 3 C + S _ O S H 2 N N N N S N H 3 C Cl IC50 = 3.2 nM 452.03 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(Cl)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4074740 OBDepict H 3 C O + S _ O S H 2 N N N N S N H 3 C H 3 C IC50 = 3.3 nM 447.61 COCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4067423 OBDepict CH 3 + S _ O S NH 2 N N S O N H O CH 3 IC50 = 3.4 nM 514.7 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)NCC)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4095639 OBDepict H 3 C + S _ O S H 2 N N N S NH O OH IC50 = 3.4 nM 500.67 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cccc(C(=O)NCCO)c3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4070888 OBDepict CH 3 + S _ O S NH 2 N N S O OH IC50 = 3.4 nM 457.6 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)O)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4093974 OBDepict H 3 C + S _ O S H 2 N N N S O O N H 3 C CH 3 IC50 = 3.5 nM 528.73 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)CN(C)C)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4101700 OBDepict H 3 C + S _ O S H 2 N N N S HO H 3 C CH 3 IC50 = 3.6 nM 471.67 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(C(C)(C)O)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4077682 OBDepict H 3 C + S _ O S H 2 N N N N N H 3 C IC50 = 3.7 nM 411.56 CCCC[S+]([O-])c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4082378 OBDepict Cl + S _ O S H 2 N N S IC50 = 4.0 nM 433.02 Nc1c([S+]([O-])CCCCl)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 Homo sapiens CHEMBL4051488 assay format
CHEMBL3403240 OBDepict O N H S O Br O IC50 = 4.0 nM 404.29 O=C1NC(=O)/C(=C/c2ccc(OCCc3ccccc3)c(Br)c2)S1 Homo sapiens CHEMBL3404953 single protein format
CHEMBL4064717 OBDepict CH 3 + S _ O S NH 2 N N S OH IC50 = 4.3 nM 443.62 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cccc(CO)c3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4104628 OBDepict CH 3 + S _ O S H 2 N N N S N H S O O CH 3 IC50 = 4.6 nM 520.73 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4066687 OBDepict H 3 C + S _ O S H 2 N N N IC50 = 4.9 nM 407.56 CCCC[S+]([O-])c1sc2nc(-c3ccccc3)nc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4099213 OBDepict CH 3 + S _ O S NH 2 N CH 3 N S IC50 = 5.3 nM 337.5 CCC[S+]([O-])c1sc2nc(-c3nccs3)cc(C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4099492 OBDepict H 3 C + S _ O S H 2 N N N S N O CH 3 H 3 C IC50 = 5.9 nM 484.67 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)N(C)C)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4081420 OBDepict F + S _ O S H 2 N N S IC50 = 6.1 nM 416.57 Nc1c([S+]([O-])CCCF)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 Homo sapiens CHEMBL4051488 assay format
CHEMBL4074636 OBDepict H 3 C + S _ O S H 2 N N N N H 3 C IC50 = 6.7 nM 410.57 CCCC[S+]([O-])c1sc2nc(-c3nccn3C)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL1800139 OBDepict OH N S O Cl O IC50 = 8.0 nM 365.88 O=C1N=C(O)S/C1=Cc1ccc(OCCC2CCCCC2)c(Cl)c1 Homo sapiens CHEMBL1803828 assay format
CHEMBL4105677 OBDepict N + S _ O S NH 2 N S IC50 = 8.7 nM 423.59 N#CCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4091753 OBDepict CH 3 + S _ O S NH 2 N N S O O CH 3 IC50 = 9.0 nM 471.63 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cccc(C(=O)OC)c3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL2414148 OBDepict O S N H O Cl O IC50 = 9.0 nM 323.8 O=C1NC(=O)/C(=C/c2ccc(OCC3CCC3)c(Cl)c2)S1 Homo sapiens CHEMBL2415236 assay format
CHEMBL1800143 OBDepict OH N S O Cl O IC50 = 10.0 nM 379.91 O=C1N=C(O)S/C1=Cc1ccc(OCCCC2CCCCC2)c(Cl)c1 Homo sapiens CHEMBL1803828 assay format
CHEMBL2414150 OBDepict O S N H O Cl O IC50 = 11.0 nM 337.83 O=C1NC(=O)/C(=C/c2ccc(OCC3CCCC3)c(Cl)c2)S1 Homo sapiens CHEMBL2415236 assay format
CHEMBL4086213 OBDepict H 3 C + S _ O S H 2 N N N S H 2 N IC50 = 11.5 nM 442.64 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(CN)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL3103033 OBDepict Cl N N N O IC50 = 12.0 nM 339.83 O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL2414240 OBDepict OH N S O Cl O IC50 = 13.0 nM 365.88 O=C1N=C(O)S/C1=Cc1ccc(OCCC2CCCCC2)cc1Cl Homo sapiens CHEMBL2415236 assay format
CHEMBL4076464 OBDepict CH 3 + S _ O S NH 2 N N O S H 3 C CH 3 IC50 = 14.7 nM 393.56 CCC[S+]([O-])c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4063666 OBDepict CH 3 + S _ O S NH 2 N N S O O CH 3 IC50 = 15.1 nM 471.63 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)OC)cc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4114817 OBDepict O N S OH Cl O IC50 = 17.9 nM 365.88 O=C1N=C(O)S/C1=Cc1cccc(OCCC2CCCCC2)c1Cl Homo sapiens CHEMBL3705358 single protein format
CHEMBL4062212 OBDepict H 3 C + S _ O S H 2 N N S IC50 = 18.0 nM 440.66 CCCCCC[S+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL4085957 OBDepict H 3 C + S _ O S H 2 N N N S N O CH 3 H 3 C IC50 = 18.5 nM 484.67 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cccc(C(=O)N(C)C)c3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL3103038 OBDepict H 3 C N N N O IC50 = 19.0 nM 319.41 Cc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL1800140 OBDepict OH N S O Br O IC50 = 19.0 nM 410.33 O=C1N=C(O)S/C1=Cc1ccc(OCCC2CCCCC2)c(Br)c1 Homo sapiens CHEMBL1803828 assay format
CHEMBL3103040 OBDepict CH 3 O N N N O IC50 = 19.0 nM 335.41 COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL1343061 OBDepict CH 3 N N N O IC50 = 19.0 nM 319.41 Cc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3103034 OBDepict H 3 C O N N N O IC50 = 19.0 nM 335.41 COc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL2414147 OBDepict O N H S O Cl O O IC50 = 20.0 nM 381.88 O=C1NC(=O)/C(=C/c2ccc(OCCOC3CCCCC3)c(Cl)c2)S1 Homo sapiens CHEMBL2415236 assay format
CHEMBL2414160 OBDepict OH N S O Cl O IC50 = 20.0 nM 359.83 O=C1N=C(O)S/C1=Cc1ccc(OCCc2ccccc2)c(Cl)c1 Homo sapiens CHEMBL2415236 assay format
CHEMBL4114745 OBDepict OH O O S O N OH IC50 = 20.4 nM 375.45 O=C1N=C(O)S/C1=Cc1ccc(OCC2CCC(C(=O)CO)CC2)cc1 Homo sapiens CHEMBL3705358 single protein format
CHEMBL4081747 OBDepict CH 3 + S _ O S NH 2 N N N S N CH 3 CH 3 CH 3 IC50 = 20.5 nM 459.67 CCCC[S+]([O-])c1sc2nc(-c3nccs3)cc(-c3cnc(C(C)C)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL3103032 OBDepict O N N N IC50 = 22.0 nM 305.38 O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCCCC1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3102994 OBDepict H 3 C N CH 3 N N N Cl Cl IC50 = 22.0 nM 375.3 Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3103039 OBDepict Cl N N N O IC50 = 22.0 nM 339.83 O=C(c1ccc2c(c1)ncn2-c1ccc(Cl)cc1)N1CCCCC1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3103018 OBDepict CH 3 N O N N CH 3 IC50 = 22.0 nM 333.44 Cc1cccc(-n2cnc3cc(C(=O)N4CCCC(C)C4)ccc32)c1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL4114682 OBDepict CH 3 O O S O N HO IC50 = 22.1 nM 375.49 COc1cc(/C=C2SC(O)=NC2=O)ccc1OCCCC1CCCCC1 Homo sapiens CHEMBL3705358 single protein format
CHEMBL4114752 OBDepict OH O S O N OH IC50 = 23.0 nM 361.46 O=C1N=C(O)S/C1=Cc1ccc(OCCC2CCCCC2)c(CO)c1 Homo sapiens CHEMBL3705358 single protein format
CHEMBL1800144 OBDepict OH N S O Cl O IC50 = 24.0 nM 393.94 O=C1N=C(O)S/C1=Cc1ccc(OCCCCC2CCCCC2)c(Cl)c1 Homo sapiens CHEMBL1803828 assay format
CHEMBL1800138 OBDepict CH 3 O O S O N H O IC50 = 25.0 nM 361.46 COc1cc(/C=C2SC(=O)NC2=O)ccc1OCCC1CCCCC1 Homo sapiens CHEMBL1803828 assay format
CHEMBL4060524 OBDepict H 3 C S O O S NH 2 N S IC50 = 25.0 nM 428.6 CCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL3102860 OBDepict CH 3 O N N N O IC50 = 27.0 nM 335.41 COc1ccccc1-n1cnc2cc(C(=O)N3CCCCC3)ccc21 Homo sapiens CHEMBL3107150 single protein format
CHEMBL1800142 OBDepict HO N S O Cl O IC50 = 28.0 nM 351.86 O=C1N=C(O)S/C1=Cc1ccc(OCC2CCCCC2)c(Cl)c1 Homo sapiens CHEMBL1803828 assay format
CHEMBL4115685 OBDepict CH 3 O CH 3 S O N HO IC50 = 28.4 nM 357.48 CC1=CCC(CC(C)Oc2ccc(/C=C3SC(O)=NC3=O)cc2)CC1 Homo sapiens CHEMBL3705358 single protein format
CHEMBL590265 OBDepict OH N S O O S IC50 = 31.0 nM 331.42 O=C1N=C(O)S/C1=Cc1ccc(OCCc2cccs2)cc1 Homo sapiens CHEMBL1069650 assay format
CHEMBL4114683 OBDepict CH 3 O F F F S O N HO IC50 = 31.4 nM 399.43 CC1CCC(COc2ccc(/C=C3SC(O)=NC3=O)cc2C(F)(F)F)CC1 Homo sapiens CHEMBL3705358 single protein format
CHEMBL4075972 OBDepict H 3 C S O O S NH 2 N N N S N CH 3 CH 3 IC50 = 32.0 nM 447.61 CCCCS(=O)(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N Homo sapiens CHEMBL4051488 assay format
CHEMBL3103043 OBDepict O N N N CH 3 CH 3 CH 3 IC50 = 34.0 nM 285.39 CC(C)(C)n1cnc2cc(C(=O)N3CCCCC3)ccc21 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3103000 OBDepict CH 3 N CH 3 H 3 C N N N IC50 = 34.0 nM 320.44 Cc1ccc(-n2c(C)cc(-c3nnc4n3CCCCC4)c2C)cc1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3102995 OBDepict Cl N H 3 C CH 3 N N N IC50 = 34.0 nM 340.86 Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(Cl)c1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL4100389 OBDepict HO + S _ O S H 2 N N S IC50 = 37.0 nM 414.58 Nc1c([S+]([O-])CCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 Homo sapiens CHEMBL4051488 assay format
CHEMBL3102996 OBDepict Cl N H 3 C CH 3 N N N IC50 = 38.0 nM 340.86 Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)cc1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3103006 OBDepict CH 3 O O N CH 3 H 3 C N N N IC50 = 38.0 nM 378.48 CCOC(=O)c1ccc(-n2c(C)cc(-c3nnc4n3CCCCC4)c2C)cc1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL2414161 OBDepict OH N S O Cl O IC50 = 38.0 nM 373.86 O=C1N=C(O)S/C1=Cc1ccc(OCCCc2ccccc2)c(Cl)c1 Homo sapiens CHEMBL2415236 assay format
CHEMBL2414244 OBDepict O N H S O Cl O IC50 = 42.0 nM 351.86 O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCC3)cc2Cl)S1 Homo sapiens CHEMBL2415236 assay format
CHEMBL4114746 OBDepict O N S HO Cl O IC50 = 44.9 nM 373.86 O=C1N=C(O)S/C1=Cc1cccc(OCCCc2ccccc2)c1Cl Homo sapiens CHEMBL3705358 single protein format
CHEMBL84603 OBDepict OH S N O O IC50 = 45.0 nM 303.38 O=C1N=C(O)S/C1=Cc1ccc(OCC2CCCC2)cc1 Homo sapiens CHEMBL1069650 assay format
CHEMBL1800141 OBDepict OH S N O Cl O IC50 = 47.0 nM 337.83 O=C1N=C(O)S/C1=Cc1ccc(OC2CCCCC2)c(Cl)c1 Homo sapiens CHEMBL1803828 assay format
CHEMBL3103035 OBDepict O N N N F F F IC50 = 48.0 nM 373.38 O=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3102997 OBDepict Br N H 3 C CH 3 N N N IC50 = 48.0 nM 385.31 Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Br)cc1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL3103020 OBDepict H 3 C CH 3 N O N N CH 3 IC50 = 48.0 nM 361.49 Cc1cccc(-n2cnc3cc(C(=O)N4CCCC(C(C)C)C4)ccc32)c1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL2414159 OBDepict HO N S O Cl O IC50 = 48.0 nM 345.81 O=C1N=C(O)S/C1=Cc1ccc(OCc2ccccc2)c(Cl)c1 Homo sapiens CHEMBL2415236 assay format
CHEMBL3102998 OBDepict H 3 C N CH 3 N N N F F F IC50 = 48.0 nM 374.41 Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3107150 single protein format
CHEMBL2414162 OBDepict OH N S O Cl O IC50 = 48.0 nM 387.89 O=C1N=C(O)S/C1=Cc1ccc(OCCCCc2ccccc2)c(Cl)c1 Homo sapiens CHEMBL2415236 assay format
CHEMBL4114657 OBDepict OH N S O CH 3 O IC50 = 49.8 nM 331.44 Cc1cc(/C=C2SC(O)=NC2=O)ccc1OCC1CCCCC1 Homo sapiens CHEMBL3705358 single protein format
CHEMBL4114816 OBDepict H 3 C O O Cl S O N OH IC50 = 50.6 nM 395.91 COc1cc(/C=C2SC(O)=NC2=O)cc(Cl)c1OCCC1CCCCC1 Homo sapiens CHEMBL3705358 single protein format