Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene--hopene cyclase' and Ligand = 'BDBM50128061'   

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)	BDBM50128061 ((4-Bromo-phenyl)-(4-{2-[(cyclopropyl-methyl-amino)...) Show SMILES CN(C[C@H]1C[C@@H]1COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1 Show InChI InChI=1S/C22H24BrNO2/c1-24(20-8-9-20)13-17-12-18(17)14-26-21-10-4-16(5-11-21)22(25)15-2-6-19(23)7-3-15/h2-7,10-11,17-18,20H,8-9,12-14H2,1H3/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	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
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