Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene--hopene cyclase' and Ligand = 'BDBM50128047'   

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
Squalene--hopene cyclase (Alicyclobacillus acidocaldarius)	BDBM50128047 ((E)-N-allyl-4-(4-(6-bromobenzo[d]isothiazol-3-yl)p...) Show SMILES CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12 Show InChI InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-9-6-16(7-10-18)21-19-11-8-17(22)15-20(19)26-23-21/h3-11,15H,1,12-14H2,2H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Curated by ChEMBL					Assay Description Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidocaldarius				J Med Chem 46: 2083-92 (2003) Article DOI: 10.1021/jm0211218 BindingDB Entry DOI: 10.7270/Q2VM4BM9
					More data for this Ligand-Target Pair