Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lanosterol synthase' and Ligand = 'BDBM50394834'   

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))	BDBM50394834 (CHEMBL2164236) Show SMILES CCN(CCO)C[C@H]1CC[C@H](CCN(C)C(=O)Oc2ccc(cc2)C(F)(F)F)CC1 |r,wU:7.6,wD:10.10,(3.56,-33.3,;4.88,-34.07,;4.87,-35.61,;3.54,-36.38,;2.21,-35.6,;.87,-36.36,;6.2,-36.4,;7.54,-35.63,;7.55,-34.09,;8.88,-33.34,;10.2,-34.11,;11.54,-33.35,;12.87,-34.12,;14.21,-33.36,;14.21,-31.82,;15.53,-34.13,;15.53,-35.67,;16.87,-33.37,;18.2,-34.13,;18.19,-35.68,;19.52,-36.45,;20.86,-35.68,;20.86,-34.14,;19.53,-33.37,;22.19,-36.46,;23.53,-35.69,;22.19,-38,;23.52,-37.22,;10.21,-35.65,;8.87,-36.41,)| Show InChI InChI=1S/C22H33F3N2O3/c1-3-27(14-15-28)16-18-6-4-17(5-7-18)12-13-26(2)21(29)30-20-10-8-19(9-11-20)22(23,24)25/h8-11,17-18,28H,3-7,12-16H2,1-2H3/t17-,18-	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	12.7	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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