Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50030411   

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))	BDBM50295781 (CHEMBL554525 | N-(3-(tert-butyl(isopropyl)amino)-2...) Show SMILES CC(C)N(CC(O)CO\N=C(/Cl)c1nc2ccccc2o1)C(C)(C)C Show InChI InChI=1S/C18H26ClN3O3/c1-12(2)22(18(3,4)5)10-13(23)11-24-21-16(19)17-20-14-8-6-7-9-15(14)25-17/h6-9,12-13,23H,10-11H2,1-5H3/b21-16-	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	1.66E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50414476 (CHEMBL2021569) Show SMILES CCCN(C[C@H](O)CC\C=C(/Cl)c1nc2ccccc2o1)C(C)C |r| Show InChI InChI=1S/C19H27ClN2O2/c1-4-12-22(14(2)3)13-15(23)8-7-9-16(20)19-21-17-10-5-6-11-18(17)24-19/h5-6,9-11,14-15,23H,4,7-8,12-13H2,1-3H3/b16-9-/t15-/m1/s1	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	2.86E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295783 (CHEMBL549427 | N-(3-(ethyl(propyl)amino)-2-hydroxy...) Show SMILES CCCN(CC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1 Show InChI InChI=1S/C16H22ClN3O3/c1-3-9-20(4-2)10-12(21)11-22-19-15(17)16-18-13-7-5-6-8-14(13)23-16/h5-8,12,21H,3-4,9-11H2,1-2H3/b19-15-	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	2.30E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295784 (CHEMBL560657 | N-(3-(dibutylamino)-2-hydroxypropox...) Show SMILES CCCCN(CCCC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1 Show InChI InChI=1S/C19H28ClN3O3/c1-3-5-11-23(12-6-4-2)13-15(24)14-25-22-18(20)19-21-16-9-7-8-10-17(16)26-19/h7-10,15,24H,3-6,11-14H2,1-2H3/b22-18-	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	2.09E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295785 (CHEMBL552321 | N-(3-(dipropylamino)-2-hydroxypropo...) Show SMILES CCCN(CCC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1 Show InChI InChI=1S/C17H24ClN3O3/c1-3-9-21(10-4-2)11-13(22)12-23-20-16(18)17-19-14-7-5-6-8-15(14)24-17/h5-8,13,22H,3-4,9-12H2,1-2H3/b20-16-	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	2.39E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295786 (CHEMBL552320 | N-(3-(diethylamino)-2-hydroxypropox...) Show SMILES CCN(CC)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1 Show InChI InChI=1S/C15H20ClN3O3/c1-3-19(4-2)9-11(20)10-21-18-14(16)15-17-12-7-5-6-8-13(12)22-15/h5-8,11,20H,3-4,9-10H2,1-2H3/b18-14-	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	2.71E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295787 (CHEMBL557917 | N-(3-(2,6-dimethylpiperidin-1-yl)-2...) Show SMILES CC1CCCC(C)N1CC(O)CO\N=C(/Cl)c1nc2ccccc2o1 Show InChI InChI=1S/C18H24ClN3O3/c1-12-6-5-7-13(2)22(12)10-14(23)11-24-21-17(19)18-20-15-8-3-4-9-16(15)25-18/h3-4,8-9,12-14,23H,5-7,10-11H2,1-2H3/b21-17-	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	3.24E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295788 (CHEMBL561119 | N-(3-(3,5-dimethylpiperidin-1-yl)-2...) Show SMILES CC1CC(C)CN(CC(O)CO\N=C(/Cl)c2nc3ccccc3o2)C1 Show InChI InChI=1S/C18H24ClN3O3/c1-12-7-13(2)9-22(8-12)10-14(23)11-24-21-17(19)18-20-15-5-3-4-6-16(15)25-18/h3-6,12-14,23H,7-11H2,1-2H3/b21-17-	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	1.74E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295789 (CHEMBL570771 | N-(3-(3-fluoropiperidin-1-yl)-2-hyd...) Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2o1)CN1CCCC(F)C1 Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-5-1-2-6-14(13)24-16)20-23-10-12(22)9-21-7-3-4-11(18)8-21/h1-2,5-6,11-12,22H,3-4,7-10H2/b20-15-	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	5.26E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295790 (CHEMBL550790 | N-(2-hydroxy-3-(pyrrolidin-1-yl)pro...) Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2s1)CN1CCCC1 Show InChI InChI=1S/C15H18ClN3O2S/c16-14(15-17-12-5-1-2-6-13(12)22-15)18-21-10-11(20)9-19-7-3-4-8-19/h1-2,5-6,11,20H,3-4,7-10H2/b18-14-	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	6.28E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295791 (CHEMBL552259 | N-(2-hydroxy-3-(piperidin-1-yl)prop...) Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2s1)CN1CCCCC1 Show InChI InChI=1S/C16H20ClN3O2S/c17-15(16-18-13-6-2-3-7-14(13)23-16)19-22-11-12(21)10-20-8-4-1-5-9-20/h2-3,6-7,12,21H,1,4-5,8-11H2/b19-15-	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	5.26E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295792 (CHEMBL550179 | N-(2-hydroxy-3-(piperidin-1-yl)prop...) Show SMILES OC(CO\N=C(/Cl)c1nc2ccccc2o1)CN1CCCCC1 Show InChI InChI=1S/C16H20ClN3O3/c17-15(16-18-13-6-2-3-7-14(13)23-16)19-22-11-12(21)10-20-8-4-1-5-9-20/h2-3,6-7,12,21H,1,4-5,8-11H2/b19-15-	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	4.17E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295793 (CHEMBL551057 | N-(2-hydroxy-3-(piperidin-1-yl)prop...) Show SMILES OC(CO\N=C(/Cl)c1nc2c(ccc3ccccc23)o1)CN1CCCCC1 Show InChI InChI=1S/C20H22ClN3O3/c21-19(23-26-13-15(25)12-24-10-4-1-5-11-24)20-22-18-16-7-3-2-6-14(16)8-9-17(18)27-20/h2-3,6-9,15,25H,1,4-5,10-13H2/b23-19-	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	1.21E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295794 (6-(N,N-dimethylsulfamoyl)-N-(2-hydroxy-3-(piperidi...) Show SMILES CN(C)S(=O)(=O)c1ccc2nc(oc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1 Show InChI InChI=1S/C18H25ClN4O5S/c1-22(2)29(25,26)14-6-7-15-16(10-14)28-18(20-15)17(19)21-27-12-13(24)11-23-8-4-3-5-9-23/h6-7,10,13,24H,3-5,8-9,11-12H2,1-2H3/b21-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.16E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295795 (5-(ethylsulfonyl)-N-(2-hydroxy-3-(piperidin-1-yl)p...) Show SMILES CCS(=O)(=O)c1ccc2oc(nc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1 Show InChI InChI=1S/C18H24ClN3O5S/c1-2-28(24,25)14-6-7-16-15(10-14)20-18(27-16)17(19)21-26-12-13(23)11-22-8-4-3-5-9-22/h6-7,10,13,23H,2-5,8-9,11-12H2,1H3/b21-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.29E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295796 (6-chloro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...) Show SMILES OC(CO\N=C(/Cl)c1nc2ccc(Cl)cc2o1)CN1CCCCC1 Show InChI InChI=1S/C16H19Cl2N3O3/c17-11-4-5-13-14(8-11)24-16(19-13)15(18)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-	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	2.29E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295797 (5-chloro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...) Show SMILES OC(CO\N=C(/Cl)c1nc2cc(Cl)ccc2o1)CN1CCCCC1 Show InChI InChI=1S/C16H19Cl2N3O3/c17-11-4-5-14-13(8-11)19-16(24-14)15(18)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-	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	2.09E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295798 (CHEMBL550653 | N-(2-hydroxy-3-(piperidin-1-yl)prop...) Show SMILES Cc1ccc2nc(oc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1 Show InChI InChI=1S/C17H22ClN3O3/c1-12-5-6-14-15(9-12)24-17(19-14)16(18)20-23-11-13(22)10-21-7-3-2-4-8-21/h5-6,9,13,22H,2-4,7-8,10-11H2,1H3/b20-16-	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	3.10E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295799 (CHEMBL564701 | N-(2-hydroxy-3-(piperidin-1-yl)prop...) Show SMILES Cc1ccc2oc(nc2c1)C(\Cl)=N\OCC(O)CN1CCCCC1 Show InChI InChI=1S/C17H22ClN3O3/c1-12-5-6-15-14(9-12)19-17(24-15)16(18)20-23-11-13(22)10-21-7-3-2-4-8-21/h5-6,9,13,22H,2-4,7-8,10-11H2,1H3/b20-16-	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	4.16E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295800 (7-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...) Show SMILES OC(CO\N=C(/Cl)c1nc2cccc(F)c2o1)CN1CCCCC1 Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-6-4-5-12(18)14(13)24-16)20-23-10-11(22)9-21-7-2-1-3-8-21/h4-6,11,22H,1-3,7-10H2/b20-15-	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	1.85E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295801 (4-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...) Show SMILES OC(CO\N=C(/Cl)c1nc2c(F)cccc2o1)CN1CCCCC1 Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-14-12(18)5-4-6-13(14)24-16)20-23-10-11(22)9-21-7-2-1-3-8-21/h4-6,11,22H,1-3,7-10H2/b20-15-	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	2.02E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295802 (6-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...) Show SMILES OC(CO\N=C(/Cl)c1nc2ccc(F)cc2o1)CN1CCCCC1 Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-5-4-11(18)8-14(13)24-16)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-	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	2.94E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295803 (5-fluoro-N-(2-hydroxy-3-(piperidin-1-yl)propoxy)be...) Show SMILES OC(CO\N=C(/Cl)c1nc2cc(F)ccc2o1)CN1CCCCC1 Show InChI InChI=1S/C16H19ClFN3O3/c17-15(16-19-13-8-11(18)4-5-14(13)24-16)20-23-10-12(22)9-21-6-2-1-3-7-21/h4-5,8,12,22H,1-3,6-7,9-10H2/b20-15-	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	5.13E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295804 (CHEMBL564532 | N-(3-((cyclopropylmethyl)(isopropyl...) Show SMILES CC(C)N(CC(O)CO\N=C(/Cl)c1nc2ccccc2o1)CC1CC1 Show InChI InChI=1S/C18H24ClN3O3/c1-12(2)22(9-13-7-8-13)10-14(23)11-24-21-17(19)18-20-15-5-3-4-6-16(15)25-18/h3-6,12-14,23H,7-11H2,1-2H3/b21-17-	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	1.24E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295805 (CHEMBL560380 | N-(3-((3-fluoropropyl)(isopropyl)am...) Show SMILES CC(C)N(CCCF)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1 Show InChI InChI=1S/C17H23ClFN3O3/c1-12(2)22(9-5-8-19)10-13(23)11-24-21-16(18)17-20-14-6-3-4-7-15(14)25-17/h3-4,6-7,12-13,23H,5,8-11H2,1-2H3/b21-16-	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	2.28E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295806 (CHEMBL561724 | N-(2-hydroxy-3-((2-hydroxyethyl)(is...) Show SMILES CC(C)N(CCO)CC(O)CO\N=C(/Cl)c1nc2ccccc2o1 Show InChI InChI=1S/C16H22ClN3O4/c1-11(2)20(7-8-21)9-12(22)10-23-19-15(17)16-18-13-5-3-4-6-14(13)24-16/h3-6,11-12,21-22H,7-10H2,1-2H3/b19-15-	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	2.87E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295807 ((S)-N-(2-hydroxy-3-(isopropyl(propyl)amino)propoxy...) Show SMILES CCCN(C[C@H](O)CO\N=C(/Cl)c1nc2ccccc2o1)C(C)C |r| Show InChI InChI=1S/C17H24ClN3O3/c1-4-9-21(12(2)3)10-13(22)11-23-20-16(18)17-19-14-7-5-6-8-15(14)24-17/h5-8,12-13,22H,4,9-11H2,1-3H3/b20-16-/t13-/m0/s1	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	2.41E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50414475 (CHEMBL2021570) Show SMILES CCCN(C[C@@H](O)CC\C=C(/Cl)c1nc2ccccc2o1)C(C)C |r| Show InChI InChI=1S/C19H27ClN2O2/c1-4-12-22(14(2)3)13-15(23)8-7-9-16(20)19-21-17-10-5-6-11-18(17)24-19/h5-6,9-11,14-15,23H,4,7-8,12-13H2,1-3H3/b16-9-/t15-/m0/s1	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	3.19E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50295782 (CHEMBL558309 | N-(3-(diisopropylamino)-2-hydroxypr...) Show SMILES CC(C)N(CC(O)CO\N=C(/Cl)c1nc2ccccc2o1)C(C)C Show InChI InChI=1S/C17H24ClN3O3/c1-11(2)21(12(3)4)9-13(22)10-23-20-16(18)17-19-14-7-5-6-8-15(14)24-17/h5-8,11-13,22H,9-10H2,1-4H3/b20-16-	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	2.55E+4	n/a	n/a	n/a	n/a
CytRx Corporation Curated by ChEMBL					Assay Description Transcriptional activation of HSF1 in heat shock stress-induced human HeLa cells assessed as granule formation treated 1 hr before heat shock challen...				Bioorg Med Chem Lett 19: 3128-35 (2009) Article DOI: 10.1016/j.bmcl.2009.03.011 BindingDB Entry DOI: 10.7270/Q23B605H
					More data for this Ligand-Target Pair