Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50030432   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296050 (1-butyl-6-methyl-3-(5-methylthiophen-2-yl)pyrimido...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)s1 Show InChI InChI=1S/C15H17N5O2S/c1-4-5-8-20-13-11(14(21)19(3)15(22)17-13)16-12(18-20)10-7-6-9(2)23-10/h6-7H,4-5,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296072 (1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dio...) Show SMILES CCn1nc(-c2ccc(C)s2)[n+]([O-])c2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C13H13N5O3S/c1-4-17-11-9(12(19)16(3)13(20)14-11)18(21)10(15-17)8-6-5-7(2)22-8/h5-6H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296052 (1-butyl-6-methyl-3-(5-methylfuran-2-yl)pyrimido[5,...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)o1 Show InChI InChI=1S/C15H17N5O3/c1-4-5-8-20-13-11(14(21)19(3)15(22)17-13)16-12(18-20)10-7-6-9(2)23-10/h6-7H,4-5,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296053 (1-butyl-6-methyl-3-(5-methylfuran-2-yl)-5,7-dioxo-...) Show SMILES CCCCn1nc(-c2ccc(C)o2)[n+]([O-])c2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C15H17N5O4/c1-4-5-8-19-13-11(14(21)18(3)15(22)16-13)20(23)12(17-19)10-7-6-9(2)24-10/h6-7H,4-5,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296054 (1-ethyl-6-methyl-3-(5-methylfuran-2-yl)pyrimido[5,...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)o1 Show InChI InChI=1S/C13H13N5O3/c1-4-18-11-9(12(19)17(3)13(20)15-11)14-10(16-18)8-6-5-7(2)21-8/h5-6H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296055 (1-ethyl-6-methyl-3-(5-methylfuran-2-yl)-5,7-dioxo-...) Show SMILES CCn1nc(-c2ccc(C)o2)[n+]([O-])c2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C13H13N5O4/c1-4-17-11-9(12(19)16(3)13(20)14-11)18(21)10(15-17)8-6-5-7(2)22-8/h5-6H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296056 (1-ethyl-3-(furan-2-yl)-6-methylpyrimido[5,4-e][1,2...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccco1 Show InChI InChI=1S/C12H11N5O3/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296057 (1-ethyl-6-methyl-3-(1H-pyrrol-2-yl)pyrimido[5,4-e]...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc[nH]1 Show InChI InChI=1S/C12H12N6O2/c1-3-18-10-8(11(19)17(2)12(20)15-10)14-9(16-18)7-5-4-6-13-7/h4-6,13H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296058 (1-ethyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,...) Show SMILES CCn1nc(-c2ccc[nH]2)[n+]([O-])c2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C12H12N6O3/c1-3-17-10-8(11(19)16(2)12(20)14-10)18(21)9(15-17)7-5-4-6-13-7/h4-6,13H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296059 (1-butyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,...) Show SMILES CCCCn1nc(-c2ccc[nH]2)[n+]([O-])c2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C14H16N6O3/c1-3-4-8-19-12-10(13(21)18(2)14(22)16-12)20(23)11(17-19)9-6-5-7-15-9/h5-7,15H,3-4,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.49E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296060 (1-ethyl-3-(1H-imidazol-2-yl)-6-methylpyrimido[5,4-...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ncc[nH]1 Show InChI InChI=1S/C11H11N7O2/c1-3-18-9-6(10(19)17(2)11(20)15-9)14-8(16-18)7-12-4-5-13-7/h4-5H,3H2,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296061 (1-butyl-3-(1H-imidazol-2-yl)-6-methylpyrimido[5,4-...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ncc[nH]1 Show InChI InChI=1S/C13H15N7O2/c1-3-4-7-20-11-8(12(21)19(2)13(22)17-11)16-10(18-20)9-14-5-6-15-9/h5-6H,3-4,7H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296062 (1-butyl-6-methyl-3-(thiazol-2-yl)pyrimido[5,4-e][1...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nccs1 Show InChI InChI=1S/C13H14N6O2S/c1-3-4-6-19-10-8(12(20)18(2)13(21)16-10)15-9(17-19)11-14-5-7-22-11/h5,7H,3-4,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296063 (3-(1H-benzo[d]imidazol-2-yl)-1-butyl-6-methylpyrim...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H17N7O2/c1-3-4-9-24-15-12(16(25)23(2)17(26)21-15)20-14(22-24)13-18-10-7-5-6-8-11(10)19-13/h5-8H,3-4,9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.08E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296064 (1-butyl-6-methyl-3-(quinolin-2-yl)pyrimido[5,4-e][...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2ccccc2n1 Show InChI InChI=1S/C19H18N6O2/c1-3-4-11-25-17-15(18(26)24(2)19(27)22-17)21-16(23-25)14-10-9-12-7-5-6-8-13(12)20-14/h5-10H,3-4,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296065 (3-(benzo[d]thiazol-2-yl)-1-butyl-6-methylpyrimido[...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1 Show InChI InChI=1S/C17H16N6O2S/c1-3-4-9-23-14-12(16(24)22(2)17(25)20-14)19-13(21-23)15-18-10-7-5-6-8-11(10)26-15/h5-8H,3-4,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296066 (3-(benzo[d]thiazol-2-yl)-1-isopentyl-6-methylpyrim...) Show SMILES CC(C)CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1 Show InChI InChI=1S/C18H18N6O2S/c1-10(2)8-9-24-15-13(17(25)23(3)18(26)21-15)20-14(22-24)16-19-11-6-4-5-7-12(11)27-16/h4-7,10H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296067 (3-(benzo[d]thiazol-2-yl)-1-isobutyl-6-methylpyrimi...) Show SMILES CC(C)Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1nc2ccccc2s1 Show InChI InChI=1S/C17H16N6O2S/c1-9(2)8-23-14-12(16(24)22(3)17(25)20-14)19-13(21-23)15-18-10-6-4-5-7-11(10)26-15/h4-7,9H,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296068 (3-(benzo[d]thiazol-2-yl)-1-benzyl-6-methylpyrimido...) Show SMILES Cn1c(=O)nc2n(Cc3ccccc3)nc(nc2c1=O)-c1nc2ccccc2s1 Show InChI InChI=1S/C20H14N6O2S/c1-25-19(27)15-17(23-20(25)28)26(11-12-7-3-2-4-8-12)24-16(22-15)18-21-13-9-5-6-10-14(13)29-18/h2-10H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296069 (3-(benzo[d]thiazol-2-yl)-1-(4-fluorobenzyl)-6-meth...) Show SMILES Cn1c(=O)nc2n(Cc3ccc(F)cc3)nc(nc2c1=O)-c1nc2ccccc2s1 Show InChI InChI=1S/C20H13FN6O2S/c1-26-19(28)15-17(24-20(26)29)27(10-11-6-8-12(21)9-7-11)25-16(23-15)18-22-13-4-2-3-5-14(13)30-18/h2-9H,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296070 (1-butyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]tri...) Show SMILES CCCCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C16H17N5O2/c1-3-4-10-21-14-12(15(22)20(2)16(23)18-14)17-13(19-21)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50071058 ((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...) Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human HeLa cells assessed as granule formation pretreated for 3 hrs by immunocytochemical staining				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM31044 (1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1 Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296071 (1-ethyl-6-methyl-3-(5-methylthiophen-2-yl)pyrimido...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(C)s1 Show InChI InChI=1S/C13H13N5O2S/c1-4-18-11-9(12(19)17(3)13(20)15-11)14-10(16-18)8-6-5-7(2)21-8/h5-6H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50296051 (1-butyl-6-methyl-3-(5-methylthiophen-2-yl)-5,7-dio...) Show SMILES CCCCn1nc(-c2ccc(C)s2)[n+]([O-])c2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C15H17N5O3S/c1-4-5-8-19-13-11(14(21)18(3)15(22)16-13)20(23)12(17-19)10-7-6-9(2)24-10/h6-7H,4-5,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Amplification of HSF1 transcriptional activity in human heat shock-induced HeLa cells assessed as granule formation treated 1 hr before heat shock ch...				Bioorg Med Chem Lett 19: 4303-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.073 BindingDB Entry DOI: 10.7270/Q2HD7VPC
					More data for this Ligand-Target Pair