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BDBM50394833 CHEMBL2164237

SMILES: CN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=YPKPOCIBCOOAFB-KESTWPANSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50394833   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Lanosterol synthase


(Homo sapiens (Human))		BDBM50394833
PNG
(CHEMBL2164237)
Show SMILES CN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:10.9,wD:13.16,(5.65,-46.1,;5.65,-47.64,;4.32,-48.41,;2.99,-47.63,;1.65,-48.4,;6.99,-48.41,;8.32,-47.64,;9.65,-48.41,;10.99,-47.64,;12.32,-48.41,;13.66,-47.64,;13.66,-46.1,;14.99,-45.33,;16.32,-46.11,;16.33,-47.64,;14.99,-48.41,;17.65,-45.33,;18.99,-46.1,;17.64,-43.79,;16.1,-43.8,;16.87,-42.45,;18.98,-43.02,;20.32,-43.8,;21.66,-43.03,;21.67,-41.48,;20.32,-40.7,;18.98,-41.48,;23.01,-40.7,;24.34,-41.47,;23,-39.16,;24.33,-39.93,)|
Show InChI InChI=1S/C22H35F3N2O3S/c1-26(16-17-28)15-5-3-4-6-18-7-11-20(12-8-18)27(2)31(29,30)21-13-9-19(10-14-21)22(23,24)25/h9-10,13-14,18,20,28H,3-8,11-12,15-17H2,1-2H3/t18-,20-
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Article
PubMed
n/an/a 11.2n/an/an/an/an/an/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
More data for this
Ligand-Target Pair