BDBM68249 Microlactone, 16a

SMILES: Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl

InChI Key: InChIKey=ARHWBYVAVSJMRF-ZIAGYGMSSA-N

Data: 4 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 4 hits for monomerid = 68249   

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)	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
Heat Shock Protein 90 (Hsp90) (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
Heat Shock Protein 90 (Hsp90) (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
Heat Shock Protein 90 (Hsp90) (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