Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'moody' and Initial = 'cj'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428068 (CHEMBL2322655 | Cinnabarinic acid) Show SMILES Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O Show InChI InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus 6X-histidine-tagged indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as inhibition of L-...				J Med Chem 56: 3310-7 (2013) Article DOI: 10.1021/jm400049z BindingDB Entry DOI: 10.7270/Q29C6ZRX
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM15361 ((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM15361 ((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl |w:17.16,15.14| Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68248 (Microlactone, 15a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl |t:14| Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68256 (Microlactone, 15c) Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68248 (Microlactone, 15a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl |t:14| Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68264 (Microlactone, 15i) Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:2.2,4.4| Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68250 (Microlactone, 15b) Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl |w:17.16,15.14| Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68249 (Microlactone, 16a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl |r| Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM15361 ((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...) Show SMILES [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20| Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68264 (Microlactone, 15i) Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:2.2,4.4| Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68266 (Microlactone, 15j) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCCC=CCCOC2=O)c1Cl |w:18.17,16.15| Show InChI InChI=1S/C19H23ClO5/c20-18-14-11-13(21)9-7-5-3-1-2-4-6-8-10-25-19(24)17(14)15(22)12-16(18)23/h4,6,12,22-23H,1-3,5,7-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68251 (Microlactone, 16b) Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:1.0| Show InChI InChI=1S/C18H21ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68250 (Microlactone, 15b) Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68249 (Microlactone, 16a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl |r| Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68251 (Microlactone, 16b) Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:1.0| Show InChI InChI=1S/C18H21ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50428068 (CHEMBL2322655 | Cinnabarinic acid) Show SMILES Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O Show InChI InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus 6X-histidine-tagged indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as inhibition of L-...				J Med Chem 56: 3310-7 (2013) Article DOI: 10.1021/jm400049z BindingDB Entry DOI: 10.7270/Q29C6ZRX
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68260 (Microlactone, 15f cis) Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl |c:13| Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68255 (Microlactone, 14c) Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68255 (Microlactone, 14c) Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68261 (Microlactone, 15f trans) Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl |t:13| Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl |w:17.16,15.14| Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68260 (Microlactone, 15f cis) Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl |c:13| Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68266 (Microlactone, 15j) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCCC=CCCOC2=O)c1Cl |w:18.17,16.15| Show InChI InChI=1S/C19H23ClO5/c20-18-14-11-13(21)9-7-5-3-1-2-4-6-8-10-25-19(24)17(14)15(22)12-16(18)23/h4,6,12,22-23H,1-3,5,7-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68256 (Microlactone, 15c) Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68256 (Microlactone, 15c) Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68250 (Microlactone, 15b) Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68248 (Microlactone, 15a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl |t:14| Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68261 (Microlactone, 15f trans) Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl |t:13| Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68265 (Microlactone, 18) Show SMILES Oc1c(Br)c(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Br |w:18.17,16.15| Show InChI InChI=1S/C18H20Br2O5/c19-14-12-10-11(21)8-6-4-2-1-3-5-7-9-25-18(24)13(12)16(22)15(20)17(14)23/h3,5,22-23H,1-2,4,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68252 (Microlactone, 17) Show SMILES CC1CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H23ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h10-11,21-22H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68248 (Microlactone, 15a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl |t:14| Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68250 (Microlactone, 15b) Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68259 (Microlactone, 15e) Show SMILES C[C@@H]1CCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:5.5,3.3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h2-3,10-11,21-22H,4-9H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68251 (Microlactone, 16b) Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:1.0| Show InChI InChI=1S/C18H21ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68258 (Microlactone, 19) Show SMILES C[C@H](CC=C)OC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)CCCCC=C |r| Show InChI InChI=1S/C20H25ClO5/c1-4-6-7-8-10-14(22)11-15-18(16(23)12-17(24)19(15)21)20(25)26-13(3)9-5-2/h4-5,12-13,23-24H,1-2,6-11H2,3H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68249 (Microlactone, 16a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl |r| Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68260 (Microlactone, 15f cis) Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl |c:13| Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68249 (Microlactone, 16a) Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl |r| Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50508504 (CHEMBL4547692) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)SC(=S)NCCCCNC(=O)OCc1ccccc1Cl Show InChI InChI=1S/C23H34ClN3O4S2/c1-23(2,3)31-22(29)27-14-10-18(11-15-27)33-21(32)26-13-7-6-12-25-20(28)30-16-17-8-4-5-9-19(17)24/h4-5,8-9,18H,6-7,10-16H2,1-3H3,(H,25,28)(H,26,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to FLAG/His-tagged Keap1 (unknown origin)/biotinylated full-length FLAG/His/Tev/Avi-tagged NRF2 (unknown origin) expressed in baculo...				Bioorg Med Chem 27: 579-588 (2019) Article DOI: 10.1016/j.bmc.2018.12.026 BindingDB Entry DOI: 10.7270/Q2GF0XSX
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68265 (Microlactone, 18) Show SMILES Oc1c(Br)c(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Br |w:18.17,16.15| Show InChI InChI=1S/C18H20Br2O5/c19-14-12-10-11(21)8-6-4-2-1-3-5-7-9-25-18(24)13(12)16(22)15(20)17(14)23/h3,5,22-23H,1-2,4,6-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68258 (Microlactone, 19) Show SMILES C[C@H](CC=C)OC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)CCCCC=C |r| Show InChI InChI=1S/C20H25ClO5/c1-4-6-7-8-10-14(22)11-15-18(16(23)12-17(24)19(15)21)20(25)26-13(3)9-5-2/h4-5,12-13,23-24H,1-2,6-11H2,3H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68255 (Microlactone, 14c) Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68252 (Microlactone, 17) Show SMILES CC1CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H23ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h10-11,21-22H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68257 (Microlactone, 15d) Show SMILES C[C@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,t:3| Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68261 (Microlactone, 15f trans) Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl |t:13| Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent molecular chaperone HSP82 (Saccharomyces cerevisiae)	BDBM68262 (Microlactone, 15g) Show SMILES Oc1cc(O)c2c(CC(=O)CC\C=C\CCOC2=O)c1Cl |w:14.13,11.11,t:12| Show InChI InChI=1S/C15H15ClO5/c16-14-10-7-9(17)5-3-1-2-4-6-21-15(20)13(10)11(18)8-12(14)19/h1-2,8,18-19H,3-7H2/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
					More data for this Ligand-Target Pair				3D Structure (docked)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50508476 (CHEMBL4464674) Show SMILES CN1CCC(CC1)SC(=S)NCCCCNC(=O)OCc1ccccc1Cl Show InChI InChI=1S/C19H28ClN3O2S2/c1-23-12-8-16(9-13-23)27-19(26)22-11-5-4-10-21-18(24)25-14-15-6-2-3-7-17(15)20/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,21,24)(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to FLAG/His-tagged Keap1 (unknown origin)/biotinylated full-length FLAG/His/Tev/Avi-tagged NRF2 (unknown origin) expressed in baculo...				Bioorg Med Chem 27: 579-588 (2019) Article DOI: 10.1016/j.bmc.2018.12.026 BindingDB Entry DOI: 10.7270/Q2GF0XSX
					More data for this Ligand-Target Pair

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