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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Liver X receptor (LXR alpha AND LXR beta)' and Ligand = 'BDBM50306075'   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306075
PNG
(4-chloro-2-isopropyl-1-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)23-25-22-20(24)11-6-12-21(22)26(23)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50306075
PNG
(4-chloro-2-isopropyl-1-(3-(3-(methylsulfonyl)pheno...)
Show SMILES CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H21ClN2O3S/c1-15(2)23-25-22-20(24)11-6-12-21(22)26(23)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta LBD


Bioorg Med Chem Lett 20: 526-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.099
BindingDB Entry DOI: 10.7270/Q2HT2PDZ
More data for this
Ligand-Target Pair