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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid X receptor gamma/retinoic acid receptor alpha' and Ligand = 'BDBM50179116'   
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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50179116
PNG
((2E,4E)-6-((6-tert-butyl-1,1-dimethyl-2,3-dihydro-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C25H37NO2/c1-8-13-26(14-9-10-18(2)15-23(27)28)22-17-19(24(3,4)5)16-21-20(22)11-12-25(21,6)7/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50179116
PNG
((2E,4E)-6-((6-tert-butyl-1,1-dimethyl-2,3-dihydro-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C25H37NO2/c1-8-13-26(14-9-10-18(2)15-23(27)28)22-17-19(24(3,4)5)16-21-20(22)11-12-25(21,6)7/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 19n/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