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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50052033'   
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-alpha


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
PDB
MMDB

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PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/an/a 134n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR alpha


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair