Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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
ATP-dependent molecular chaperone HSP82   (214/214 = 100%)† (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   (214/214 = 100%)† (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   (214/214 = 100%)† (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)

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