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Q00613 | HSF1_HUMAN | Heat shock factor protein 1 (HSF1)

3D structures mapped by conservation among orthologs

[ Domain: "winged" // HSF_DNA-bind ]

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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
CHEMBL4070633 OBDepict H 3 C N N H O CH 3 HN O O O IC50 = 2.8 nM 453.5 Cc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3C)ccc2n1 Homo sapiens CHEMBL4001272 cell-based format
CHEMBL2103840 OBDepict HO H N N N H N N H 3 C + N _ O IC50 = 7.0 nM 396.5 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12 Homo sapiens CHEMBL3862054 cell-based format
CHEMBL4063330 OBDepict O N H O O N H H 3 C O N IC50 = 12.0 nM 439.47 Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc2ncccc2c1 Homo sapiens CHEMBL4001310 cell-based format
CHEMBL3975567 OBDepict H 3 C N H O N N H N N N N N IC50 = 14.0 nM 402.46 CN1CCC[C@H]1COc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3937369 OBDepict N O N N H N N N N N IC50 = 15.0 nM 416.49 c1cnc2ncn(-c3cc(Nc4ccc(OCCN5CCCCC5)cn4)ncn3)c2c1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL4102297 OBDepict NH 2 O N N H O CH 3 N H O O O IC50 = 26.0 nM 498.54 Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1 Homo sapiens CHEMBL4001310 cell-based format
CHEMBL3911352 OBDepict CH 3 N H 3 C O N N H N N N N N IC50 = 28.0 nM 376.42 CN(C)CCOc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3964729 OBDepict CH 3 N H 3 C O N HN N N N N CH 3 IC50 = 39.0 nM 389.46 Cc1ccc2ncn(-c3cc(Nc4ccc(OCCN(C)C)cn4)ncn3)c2c1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL4087666 OBDepict O HN H 3 C N N H O O N O O IC50 = 40.0 nM 552.63 Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Homo sapiens CHEMBL4001282 cell-based format
CHEMBL3972065 OBDepict H 3 C N H O N N H N N N N IC50 = 45.0 nM 401.47 CN1CCC[C@@H]1COc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL4069552 OBDepict O N H O O N H H 3 C O N IC50 = 51.0 nM 439.47 Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc2ccncc2c1 Homo sapiens CHEMBL4001310 cell-based format
CHEMBL3953713 OBDepict H 3 C N H O N N H N N N N IC50 = 55.0 nM 401.47 CN1CCC[C@H]1COc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3928361 OBDepict N O N NH N N N N IC50 = 57.0 nM 415.5 c1ccc2c(c1)ncn2-c1cc(Nc2ccc(OCCN3CCCCC3)cn2)ncn1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3919811 OBDepict CH 3 N H 3 C O N N H N N N N IC50 = 80.0 nM 375.44 CN(C)CCOc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL4070302 OBDepict CH 3 HN O O N N H O CH 3 HN O O O IC50 = 120.0 nM 554.6 CCC(=O)NCCOc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3C)ccc2n1 Homo sapiens CHEMBL4001310 cell-based format
CHEMBL3983798 OBDepict CH 3 N CH 3 O N N H N N N N IC50 = 165.0 nM 389.46 CN(C)CCCOc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3901185 OBDepict CH 3 N H 3 C N N H N N N N IC50 = 198.0 nM 373.46 CN(C)CCCc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL4096048 OBDepict O N H H 3 C N H N H O O O IC50 = 220.0 nM 443.5 Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc2c(c1)CCCN2 Homo sapiens CHEMBL4001310 cell-based format
CHEMBL3900925 OBDepict O N O N NH N N N N IC50 = 295.0 nM 417.47 c1ccc2c(c1)ncn2-c1cc(Nc2ccc(OCCN3CCOCC3)cn2)ncn1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3919459 OBDepict CH 3 N N N N H N N N N IC50 = 450.0 nM 386.46 CN1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL4077078 OBDepict H 3 C N N H O CH 3 HN O O IC50 = 450.0 nM 451.53 Cc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCC5)ccc3C)ccc2n1 Homo sapiens CHEMBL4001310 cell-based format
CHEMBL3946252 OBDepict CH 3 N CH 3 N N N H N N N N IC50 = 610.0 nM 414.52 CN(C)C1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3967087 OBDepict O N N H N S HN S N O CH 3 CH 3 H 3 C IC50 = 750.0 nM 381.53 CC(C)(C)c1cnc(CSc2cnc(NC(=O)N3CCNCC3)s2)o1 Homo sapiens CHEMBL3862054 cell-based format
CHEMBL3936187 OBDepict CH 3 N H 3 C O N N H N N N N N IC50 = 760.0 nM 376.42 CN(C)CCOc1ccc(Nc2cc(-n3cnc4cccnc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3944589 OBDepict N N H N N N N IC50 = 842.0 nM 288.31 c1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1 Homo sapiens CHEMBL3862045 cell-based format
CHEMBL3955977 OBDepict CH 3 N O N N H N N N N IC50 = 884.0 nM 401.47 CN1CCC(Oc2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1 Homo sapiens CHEMBL3862045 cell-based format