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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha' and Ligand = 'BDBM50227149'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50227149
PNG
(2-(4-((3-(3-benzoyl-8-(trifluoromethyl)quinolin-5-...)
Show SMILES CCC#CCC(CC#CCC)(C(O)=O)c1ccc(COc2cccc(c2)-c2ccc(c3ncc(cc23)C(=O)c2ccccc2)C(F)(F)F)cc1
Show InChI InChI=1S/C42H34F3NO4/c1-3-5-10-23-41(40(48)49,24-11-6-4-2)33-19-17-29(18-20-33)28-50-34-16-12-15-31(25-34)35-21-22-37(42(43,44)45)38-36(35)26-32(27-46-38)39(47)30-13-8-7-9-14-30/h7-9,12-22,25-27H,3-4,23-24,28H2,1-2H3,(H,48,49)
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PubMed
n/an/a 147n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha

Bioorg Med Chem Lett 18: 54-9 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.013
BindingDB Entry DOI: 10.7270/Q2N879JT
More data for this
Ligand-Target Pair