BDBM68262 Microlactone, 15g

SMILES: Oc1cc(O)c2c(CC(=O)CC\C=C\CCOC2=O)c1Cl

InChI Key: InChIKey=OBZHDCCROYHQDZ-OWOJBTEDSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 68262   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat Shock Protein 90 (Hsp90) (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	1.30E+4	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)
Heat Shock Protein 90 (Hsp90) (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)
Heat Shock Protein 90 (Hsp90) (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	4.18E+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)