BDBM50143431 7-[(2E,6E)-9-(3,3-Dimethyl-oxiranyl)-3,7-dimethyl-nona-2,6-dienyloxy]-6-hydroxy-chromen-2-one::CHEMBL174435

SMILES: C\C(CC\C=C(/C)CCC1OC1(C)C)=C/COc1cc2oc(=O)ccc2cc1O

InChI Key: InChIKey=ZIZUABYUMOLFEX-ZRUMGPRBSA-N

Data: 1 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 1 hit for monomerid = 50143431   

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
Squalene-hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50143431 (7-[(2E,6E)-9-(3,3-Dimethyl-oxiranyl)-3,7-dimethyl-...) Show SMILES C\C(CC\C=C(/C)CCC1OC1(C)C)=C/COc1cc2oc(=O)ccc2cc1O Show InChI InChI=1S/C24H30O5/c1-16(8-10-22-24(3,4)29-22)6-5-7-17(2)12-13-27-21-15-20-18(14-19(21)25)9-11-23(26)28-20/h6,9,11-12,14-15,22,25H,5,7-8,10,13H2,1-4H3/b16-6+,17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibitory activity of the compound against squalene hopene cyclase from Alicyclobacillus acidocaldarius expressed in Escherichia coli				Bioorg Med Chem Lett 14: 1931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.085 BindingDB Entry DOI: 10.7270/Q2CZ36KX
					More data for this Ligand-Target Pair