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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 = 'BDBM49951'   
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))		BDBM49951
PNG
(MLS001010697 | N-[2-[(5Z)-2,4-diketo-5-p-anisylide...)
Show SMILES [H]C12CC(C(=O)NCCN3C(=O)S\C(=C/c4ccc(OC)cc4)C3=O)C([H])(C1)C=C2 |c:31,THB:4:3:27:28.29|
Show InChI InChI=1S/C21H22N2O4S/c1-27-16-6-3-13(4-7-16)12-18-20(25)23(21(26)28-18)9-8-22-19(24)17-11-14-2-5-15(17)10-14/h2-7,12,14-15,17H,8-11H2,1H3,(H,22,24)/b18-12-
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.75E+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