BDBM50143430 7-((2E,6E)-10,11-Dihydroxy-3,7,11-trimethyl-dodeca-2,6-dienyloxy)-chromen-2-one::CHEMBL178219

SMILES: C\C(CC\C=C(/C)CCC(O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1

InChI Key: InChIKey=SOTUFGKJQVSOCT-ZCSZAFQUSA-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 = 50143430   

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)	BDBM50143430 (7-((2E,6E)-10,11-Dihydroxy-3,7,11-trimethyl-dodeca...) Show SMILES C\C(CC\C=C(/C)CCC(O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1 Show InChI InChI=1S/C24H32O5/c1-17(8-12-22(25)24(3,4)27)6-5-7-18(2)14-15-28-20-11-9-19-10-13-23(26)29-21(19)16-20/h6,9-11,13-14,16,22,25,27H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+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