Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lanosterol synthase' and Ligand = 'BDBM50128066'   

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
Lanosterol synthase (Homo sapiens (Human))	BDBM50128066 (CHEMBL66412 | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL-P...) Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccc(CN2CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1 |wU:2.1,wD:5.8,(5.42,2.82,;5.42,1.28,;4.09,.51,;4.09,-1.03,;2.75,-1.8,;1.42,-1.03,;1.43,.51,;2.76,1.28,;.08,-1.78,;.09,-3.32,;-1.24,-4.09,;-2.58,-3.31,;-3.91,-4.08,;-5.25,-3.3,;-6.58,-4.08,;-7.91,-3.3,;-7.9,-1.76,;-6.57,-1,;-5.24,-1.77,;-2.58,-1.77,;-1.24,-1.01,;6.75,.51,;6.75,-1.03,;8.1,1.28,;9.43,.51,;9.43,-1.03,;10.76,-1.8,;12.09,-1.03,;13.42,-1.8,;12.09,.51,;10.76,1.28,)| Show InChI InChI=1S/C26H33ClN2O2/c1-28(26(30)31-25-15-11-23(27)12-16-25)24-13-9-22(10-14-24)21-7-5-20(6-8-21)19-29-17-3-2-4-18-29/h5-8,11-12,15-16,22,24H,2-4,9-10,13-14,17-19H2,1H3/t22-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universität Curated by ChEMBL					Assay Description Inhibitory activity against Oxidosqualene-lanosterol cyclase from human liver microsomes				J Med Chem 46: 2083-92 (2003) Article DOI: 10.1021/jm0211218 BindingDB Entry DOI: 10.7270/Q2VM4BM9
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