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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-gamma' and Ligand = 'BDBM50179119'   
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
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
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PC cid
PC sid
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Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRgamma


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50179119
PNG
((2E,4E)-6-((3,5-di-tert-butylphenyl)(ethyl)amino)-...)
Show SMILES CCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35NO2/c1-9-24(12-10-11-17(2)13-21(25)26)20-15-18(22(3,4)5)14-19(16-20)23(6,7)8/h10-11,13-16H,9,12H2,1-8H3,(H,25,26)/b11-10+,17-13+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 231n/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Transactivation of RXRgamma in CV1 cells by cotransfection assay


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair