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O60760 | HPGDS_HUMAN | Hematopoietic prostaglandin D synthase (HPGDS)

3D structures mapped by conservation among orthologs

[ Domain: "Glutathione S-transferase (GST)-C" // GST_C_3 ]

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[ Domain: "Thioredoxin-like" // GST_N_5 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL2035650 OBDepict O N H N N F F F IC50 = 0.2 nM 363.38 O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2ccccc2)nc1 Homo sapiens CHEMBL2039156 single protein format
CHEMBL1490019 OBDepict O N H S H 3 C N S O O NH 2 IC50 < 1.0 nM 373.46 Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 Homo sapiens CHEMBL2039156 single protein format
CHEMBL2035651 OBDepict O N H N N O IC50 = 2.34 nM 361.45 O=C(NCCN1CCOCC1)c1ccc(-c2nccc3ccccc23)cc1 Homo sapiens CHEMBL2039155 single protein format
CHEMBL4247050 OBDepict CH 3 O N N CH 3 HN O N CH 3 N N IC50 = 3.0 nM 374.4 COc1ccc2c(n1)c(C)cn2NC(=O)c1cnc(-c2ccccn2)nc1C Homo sapiens CHEMBL4236045 single protein format
CHEMBL4752221 OBDepict H N N N N N N O OH H 3 C H 3 C IC50 = 5.88 nM 424.46 CC(C)(O)c1nc(-c2cccc(-c3ncc(-c4cnc(-c5ccccc5)nc4)[nH]3)c2)no1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL4866146 OBDepict F N N N H O H H HO H 3 C CH 3 IC50 = 6.0 nM 395.48 CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3c(cnn3-c3cccc(F)c3)c2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL4241885 OBDepict F N N H 3 C NH O N CH 3 N N IC50 = 6.0 nM 362.37 Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2nc(F)ccc21 Homo sapiens CHEMBL4236045 single protein format
CHEMBL3181890 OBDepict F N H 3 C NH O N CH 3 N N IC50 = 7.0 nM 361.38 Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2cc(F)ccc21 Homo sapiens CHEMBL4236045 single protein format
CHEMBL4740750 OBDepict O N H N N N IC50 = 7.14 nM 290.33 O=C(NCc1ccccc1)c1cnc(-c2ccccn2)nc1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL4753053 OBDepict O N H N N N N O OH H 3 C H 3 C IC50 = 7.18 nM 415.45 CC(C)(O)c1nc(-c2cccc(CNC(=O)c3cnc(-c4ccccc4)nc3)c2)no1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL4250602 OBDepict O N H N N CH 3 N N N F F F IC50 = 8.0 nM 398.35 Cc1nc(-c2ncccn2)ncc1C(=O)Nn1ccc2c(C(F)(F)F)cccc21 Homo sapiens CHEMBL4236045 single protein format
CHEMBL4870703 OBDepict O N H N H N H OH CH 3 CH 3 F IC50 = 8.0 nM 395.48 CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3nc(-c4ccccc4F)cn3c2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL4439454 OBDepict H 3 C O N HN O OH CH 3 H 3 C IC50 = 8.2 nM 354.45 COc1ccc2cc(C(=O)NC3CC4(C3)CC(C(C)(C)O)C4)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL2035653 OBDepict CH 3 N N H O N O IC50 = 8.26 nM 375.47 Cc1cc2ccccc2c(-c2ccc(C(=O)NCCN3CCOCC3)cc2)n1 Homo sapiens CHEMBL2039155 single protein format
CHEMBL4864805 OBDepict O HN N H N H OH CH 3 CH 3 IC50 = 9.0 nM 377.49 CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL4242281 OBDepict CH 3 N H S O O HN O N H 3 C N F IC50 = 9.5 nM 414.46 CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2C)c1 Homo sapiens CHEMBL4236045 single protein format
CHEMBL4452633 OBDepict CH 3 O N N H O N N S IC50 = 9.7 nM 368.46 COc1ccc2cc(C(=O)NC3CCN(c4nccs4)CC3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4473072 OBDepict F O F N HN O H H HO CH 3 CH 3 IC50 = 9.9 nM 378.42 CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4239352 OBDepict O N H N N CH 3 N N F F F IC50 = 10.0 nM 397.36 Cc1nc(-c2ccccn2)ncc1C(=O)Nn1ccc2c(C(F)(F)F)cccc21 Homo sapiens CHEMBL4236045 single protein format
CHEMBL4868339 OBDepict F N N H O H H HO H 3 C CH 3 IC50 = 10.0 nM 394.49 CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3c(ccn3-c3cccc(F)c3)c2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL3896080 OBDepict O NH N N CH 3 H N N N O OH H 3 C H 3 C IC50 = 11.0 nM 430.47 C[C@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1cccc(-c2noc(C(C)(C)O)n2)c1 Homo sapiens CHEMBL3889147 single protein format
CHEMBL4786374 OBDepict O N H N N IC50 = 11.7 nM 289.34 O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL3963991 OBDepict O N H N N N N N O OH H 3 C H 3 C IC50 = 12.0 nM 416.44 CC(C)(O)c1nc(-c2cccc(CNC(=O)c3cnc(-c4ccccn4)nc3)c2)no1 Homo sapiens CHEMBL3889147 single protein format
CHEMBL4859922 OBDepict O N H N H O N H OH CH 3 CH 3 F IC50 = 12.0 nM 397.45 CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4ccccc4F)cn3c2)CO1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL4454901 OBDepict CH 3 O N N H O H H HN F F F IC50 = 14.0 nM 381.4 COc1ccc2cc(C(=O)N[C@H]3CC[C@H](NCC(F)(F)F)CC3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL3698263 OBDepict O N N H N N O CH 3 N N N IC50 = 15.0 nM 489.62 CC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(CCn4ccnn4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL4526974 OBDepict O N H N H H O OH CH 3 H 3 C F F F IC50 = 15.0 nM 396.41 CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4530713 OBDepict CH 3 O N NH O IC50 = 16.0 nM 318.38 COc1ccc2cc(C(=O)NC3CCc4ccccc43)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4443093 OBDepict CH 3 O N N H O N N H IC50 = 17.0 nM 344.37 COc1ccc2cc(C(=O)Nc3cc(-c4ccccc4)[nH]n3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4873385 OBDepict F N N N H O H H OH CH 3 CH 3 IC50 = 18.0 nM 395.48 CC(C)(O)[C@H]1CC[C@H](NC(=O)c2ccc3nc(-c4cccc(F)c4)cn3c2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL4458862 OBDepict F O F N N H O N N N N CH 3 N IC50 = 20.0 nM 403.39 Cn1nnnc1N1CCC(NC(=O)c2cnc3cc(OC(F)F)ccc3c2)CC1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4874001 OBDepict F N N N N H O H H OH H 3 C H 3 C IC50 = 20.0 nM 414.53 CC(C)(O)[C@H]1CC[C@H](CNC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL261777 OBDepict H N N S N IC50 = 21.0 nM 227.29 c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1 Homo sapiens CHEMBL928087 single protein format
CHEMBL4747168 OBDepict H 3 C O N CH 3 O N H H 3 C H 3 C N N H O ClH IC50 = 23.0 nM 438.92 CON(C)C(=O)c1[nH]c(C)c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1C.Cl Homo sapiens CHEMBL4679899 single protein format
CHEMBL4244590 OBDepict OH N H H 3 C CH 3 S O O N H O N N F IC50 = 23.0 nM 458.52 CC(C)(CO)NS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1 Homo sapiens CHEMBL4236045 single protein format
CHEMBL4467696 OBDepict CH 3 O N HN O N N H IC50 = 23.0 nM 308.34 COc1ccc2cc(C(=O)Nc3cc(C4CC4)[nH]n3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4483631 OBDepict CH 3 O N N H O H H HO H 3 C CH 3 IC50 = 25.0 nM 342.44 COc1ccc2cc(C(=O)N[C@H]3CC[C@H](C(C)(C)O)CC3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4463046 OBDepict CH 3 O N N H O H H O HO H 3 C CH 3 IC50 = 26.0 nM 372.47 COc1ccc2cc(C(=O)N[C@H]3CC[C@H](OCC(C)(C)O)CC3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL3425953 OBDepict O N H N N N H IC50 = 26.0 nM 342.4 O=C(CCc1cccnc1)Nc1cncc(-c2cccc3[nH]ccc23)c1 Homo sapiens CHEMBL3428604 assay format
CHEMBL4112172 OBDepict O NH N N CH 3 H N N N O OH H 3 C H 3 C IC50 = 26.0 nM 430.47 C[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1cccc(-c2noc(C(C)(C)O)n2)c1 Homo sapiens CHEMBL3889147 single protein format
CHEMBL3698259 OBDepict O N N H N N O CH 3 N H O N O IC50 = 27.0 nM 550.7 CC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL3698265 OBDepict O N N H N N O CH 3 N N N IC50 = 27.0 nM 503.65 CC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(CCCn4ccnn4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL4744566 OBDepict O N H N N N O OH H 3 C H 3 C IC50 = 27.7 nM 414.47 CC(C)(O)c1nc(-c2cccc(CNC(=O)c3ccc(-c4ccccc4)nc3)c2)no1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL4847268 OBDepict O N H N H O N H HO H 3 C CH 3 IC50 = 30.0 nM 379.46 CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4ccccc4)cn3c2)CO1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL3425959 OBDepict O N H N O N F F F IC50 = 31.0 nM 379.38 O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(Oc2ccccc2)nc1 Homo sapiens CHEMBL3428604 assay format
CHEMBL3698260 OBDepict O N N H N N O CH 3 N O O IC50 = 31.0 nM 507.64 CC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL3650210 OBDepict O N N H N O N N CH 3 N O IC50 = 32.0 nM 506.65 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCCCC4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3425954 OBDepict CH 3 HN O N N H IC50 = 32.0 nM 265.32 CCC(=O)Nc1cncc(-c2cccc3[nH]ccc23)c1 Homo sapiens CHEMBL3428604 assay format
CHEMBL3425955 OBDepict O N H H HN O N N H IC50 = 35.0 nM 320.35 O=C1CC[C@@H](C(=O)Nc2cncc(-c3cccc4[nH]ccc34)c2)N1 Homo sapiens CHEMBL3428604 assay format
CHEMBL4757694 OBDepict H N N N N N O OH H 3 C H 3 C IC50 = 35.4 nM 423.48 CC(C)(O)c1nc(-c2cccc(-c3ncc(-c4ccc(-c5ccccc5)nc4)[nH]3)c2)no1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL4853151 OBDepict F N N N N H O N O O H 3 C CH 3 H 3 C IC50 = 37.0 nM 443.52 CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL3650208 OBDepict O N N H N O N N CH 3 N N N IC50 = 37.0 nM 504.64 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCCn4ccnn4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL4790957 OBDepict H N N N N IC50 = 37.2 nM 298.35 c1ccc(-c2ncc(-c3ccc(-c4ccccn4)nc3)[nH]2)cc1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL3698266 OBDepict H 3 C N O N HN O N HN O N O IC50 = 39.0 nM 564.73 CCC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL3650206 OBDepict O N N H N O N N CH 3 N N IC50 = 40.0 nM 489.62 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4cccn4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3698261 OBDepict O N N H N N O CH 3 N O IC50 = 41.0 nM 505.66 CC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)N4CCCCC4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL3425956 OBDepict O N H N N N N N N H IC50 = 43.0 nM 319.33 O=C(Cn1cnnn1)Nc1cncc(-c2cccc3[nH]ccc23)c1 Homo sapiens CHEMBL3428604 assay format
CHEMBL3650203 OBDepict O N N H N O N N CH 3 N O IC50 = 43.0 nM 508.67 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCN4CCOCC4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL4852189 OBDepict F N N N N H O H H HO H 3 C CH 3 IC50 = 45.0 nM 400.5 CC(C)(O)[C@H]1CC[C@H](NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL4872589 OBDepict F N N N H O H O H OH CH 3 CH 3 IC50 = 45.0 nM 397.45 CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4cccc(F)c4)cn3c2)CO1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL3650207 OBDepict O N N H N O N N CH 3 N N N IC50 = 46.0 nM 504.64 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCCn4cncn4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL4849594 OBDepict F N N N O O N O O H 3 C CH 3 H 3 C IC50 = 46.0 nM 444.51 CC(C)(C)OC(=O)N1CCC(OC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL3425960 OBDepict O N H N N N F F F IC50 = 48.0 nM 370.42 O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCCCC2)nc1 Homo sapiens CHEMBL3428604 assay format
CHEMBL4454083 OBDepict CH 3 O N HN O N S IC50 = 49.0 nM 285.33 COc1ccc2cc(C(=O)Nc3nccs3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL3698262 OBDepict O N N H N N O CH 3 N O IC50 = 52.0 nM 491.64 CC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)N4CCCC4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL4441669 OBDepict F O F N N H O H O N H IC50 = 52.0 nM 321.28 O=C(N[C@H]1CCNC1=O)c1cnc2cc(OC(F)F)ccc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL3650201 OBDepict O N N H N O N N CH 3 N O IC50 = 54.0 nM 494.64 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CN4CCOCC4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL4782958 OBDepict O N H N N N N O OH H 3 C H 3 C IC50 = 55.5 nM 415.45 CC(C)(O)c1nc(-c2cccc(CNC(=O)c3ccc(-c4ccccn4)nc3)c2)no1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL4483661 OBDepict H 3 C O N N H O N N N N H 3 C N IC50 = 56.0 nM 367.41 COc1ccc2cc(C(=O)NC3CCN(c4nnnn4C)CC3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4564218 OBDepict H 3 C O N N H O N N H IC50 = 57.0 nM 268.28 COc1ccc2cc(C(=O)Nc3cc[nH]n3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4435792 OBDepict H 3 C HN O H H NH O N O H 3 C IC50 = 57.0 nM 341.41 CNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(OC)ccc3c2)CC1 Homo sapiens CHEMBL4402235 assay format
CHEMBL3650198 OBDepict OH N HN N O N O N H 3 C IC50 = 58.0 nM 411.51 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(O)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3650212 OBDepict O N H N N O N H N O N O N CH 3 IC50 = 59.0 nM 551.69 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)NCCN4CCOCC4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3650211 OBDepict CH 3 N N O N N H N O N O N H 3 C IC50 = 60.0 nM 521.67 CN1CCN(C(=O)C2CCN(c3ccc(NC(=O)N4CCN(C(=O)c5cccn5C)CC4)cc3)CC2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3650213 OBDepict O N H N N N H N O N O N CH 3 IC50 = 60.0 nM 529.65 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)NCc4cccnc4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3425948 OBDepict H 3 C O N NH O N F F F IC50 = 60.0 nM 393.41 COc1cccc(-c2ccc(C(=O)NC3CCN(CC(F)(F)F)CC3)cn2)c1 Homo sapiens CHEMBL3428604 assay format
CHEMBL3698264 OBDepict O N N H N N O CH 3 N N H 3 C N CH 3 IC50 = 61.0 nM 531.71 Cc1nc(C)n(CCCc2ccc(N3CCC(NC(=O)N4CCN(C(=O)C5=CC=CC5C)CC4)CC3)cc2)n1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL3650204 OBDepict NH N N H N O N N CH 3 N N N IC50 = 62.0 nM 489.63 Cn1cccc1C(=O)N1CCN(C(=N)Nc2ccc(N3CCC(CCn4cncn4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3698258 OBDepict O N N H N N O H 3 C O OH IC50 = 67.0 nM 438.53 CC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL4868541 OBDepict O NH N N N F F F IC50 = 67.0 nM 402.42 O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc2nc(-c3ccccc3)cn2c1 Homo sapiens CHEMBL4836336 single protein format
CHEMBL3650202 OBDepict O N N H N O N N CH 3 N N N IC50 = 67.0 nM 476.59 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4cncn4)C3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3698267 OBDepict H 3 C N O N HN O N N N N IC50 = 68.4 nM 503.65 CCC1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(CCn4ccnn4)cc3)CC2)CC1 Homo sapiens CHEMBL3705664 single protein format
CHEMBL3425966 OBDepict O N H N N N O F F F H IC50 = 70.0 nM 380.37 O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cc[nH]c(=O)c2)nc1 Homo sapiens CHEMBL3428604 assay format
CHEMBL3425949 OBDepict O N H N N N N N O OH CH 3 H 3 C IC50 = 70.0 nM 416.44 CC(C)(O)c1nc(-c2ccc(CNC(=O)c3cnc(-c4ccccn4)nc3)cc2)no1 Homo sapiens CHEMBL3428604 assay format
CHEMBL4544169 OBDepict CH 3 O N NH O IC50 = 71.0 nM 292.34 COc1ccc2cc(C(=O)NCc3ccccc3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4238186 OBDepict O N H N N O N N O O IC50 = 71.0 nM 487.56 O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)c1cnc(Oc2ccccc2)nc1 Homo sapiens CHEMBL4679884 assay format
CHEMBL3425968 OBDepict O N H N N N H O F F F IC50 = 71.0 nM 380.37 O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cccc(=O)[nH]2)nc1 Homo sapiens CHEMBL3428604 assay format
CHEMBL3639490 OBDepict O N N H N O N N CH 3 N N N IC50 = 71.0 nM 490.61 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4ccnn4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL4476572 OBDepict H 3 C O N N H O N N H CH 3 IC50 = 73.0 nM 282.3 COc1ccc2cc(C(=O)Nc3cc(C)[nH]n3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL258506 OBDepict CH 3 N N N H O CH 3 HN O S N IC50 = 75.0 nM 525.68 Cc1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1 Homo sapiens CHEMBL928087 single protein format
CHEMBL3650200 OBDepict O N N H N O N N CH 3 N O O IC50 = 76.0 nM 508.62 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)N4CCOCC4)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL4573375 OBDepict H 3 C O N N H O N N CH 3 IC50 = 78.0 nM 282.3 COc1ccc2cc(C(=O)Nc3ccn(C)n3)cnc2c1 Homo sapiens CHEMBL4402235 assay format
CHEMBL4783535 OBDepict H N N N N N N O OH H 3 C H 3 C IC50 = 78.6 nM 424.46 CC(C)(O)c1nc(-c2cccc(-c3ncc(-c4ccc(-c5ccccn5)nc4)[nH]3)c2)no1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL3922118 OBDepict H N N N N N IC50 = 79.0 nM 299.34 c1ccc(-c2ncc(-c3cnc(-c4cccnc4)[nH]3)cn2)cc1 Homo sapiens CHEMBL3887231 single protein format
CHEMBL3982640 OBDepict H N N N N N IC50 = 80.0 nM 395.51 c1ccc(CN2CCC(c3ncc(-c4cnc(-c5ccccc5)nc4)[nH]3)CC2)cc1 Homo sapiens CHEMBL3887231 single protein format
CHEMBL4783155 OBDepict O N H N N IC50 = 80.7 nM 289.34 O=C(NCc1ccccc1)c1ccc(-c2ccccn2)nc1 Homo sapiens CHEMBL4724449 single protein format
CHEMBL3650205 OBDepict CH 3 N N N H 3 C N NH N O N O N H 3 C IC50 = 85.0 nM 518.67 Cc1nc(C)n(CCC2CCN(c3ccc(NC(=O)N4CCN(C(=O)c5cccn5C)CC4)cc3)CC2)n1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3650199 OBDepict OH O N N H N O N O N CH 3 IC50 = 86.0 nM 439.52 Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)O)CC3)cc2)CC1 Homo sapiens CHEMBL3706277 single protein format
CHEMBL3969098 OBDepict O HN N CH 3 H S IC50 = 86.0 nM 358.47 C[C@H](NC(=O)c1ccc(-c2cccs2)nc1)c1ccc2ccccc2c1 Homo sapiens CHEMBL3887626 single protein format
CHEMBL3934855 OBDepict O N F F F N N H N N IC50 = 90.0 nM 401.39 O=C(N1CCCC(c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1)C(F)(F)F Homo sapiens CHEMBL3887231 single protein format