Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lanosterol synthase' and Ligand = 'BDBM50394836'   

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))	BDBM50394836 (CHEMBL2164234) Show SMILES CCN(CCO)CCCC#C[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1 |r,wU:11.10,wD:14.17,(4.58,-22.45,;3.25,-23.23,;3.25,-24.77,;1.92,-25.54,;1.92,-27.08,;.59,-27.86,;4.58,-25.53,;5.92,-24.76,;7.25,-25.52,;8.59,-24.75,;9.92,-23.97,;11.26,-23.2,;11.26,-21.66,;12.59,-20.88,;13.91,-21.66,;13.91,-23.2,;12.59,-23.96,;15.25,-20.89,;15.25,-19.35,;16.58,-21.67,;16.58,-23.21,;17.92,-20.9,;19.25,-21.68,;19.25,-23.22,;20.58,-23.99,;21.92,-23.23,;23.25,-24,;21.92,-21.68,;20.58,-20.91,)| Show InChI InChI=1S/C23H33ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-4,6,8-9,12-13,16-18H2,1-2H3/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL) Curated by ChEMBL					Assay Description Inhibition of human liver microsome 2,3-OSC after 1 hr by Silica gel plate phosphor imaging				J Med Chem 55: 4990-5002 (2012) Article DOI: 10.1021/jm300256z BindingDB Entry DOI: 10.7270/Q2BZ674B
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