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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM115077'   
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-beta


(Homo sapiens (Human))
BDBM115077
PNG
(1-methyl-N-(4-methylcyclohexyl)-2-pyrrolecarboxami...)
Show SMILES CC1CCC(CC1)NC(=O)c1cccn1C |(4.46,-5.42,;4.46,-3.88,;5.79,-3.11,;5.79,-1.57,;4.46,-.8,;3.12,-1.57,;3.12,-3.11,;4.46,.74,;5.79,1.51,;7.12,.74,;5.79,3.05,;7.04,3.96,;6.56,5.42,;5.02,5.42,;4.54,3.96,;3.08,3.48,)|
Show InChI InChI=1S/C13H20N2O/c1-10-5-7-11(8-6-10)14-13(16)12-4-3-9-15(12)2/h3-4,9-11H,5-8H2,1-2H3,(H,14,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair