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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 = 'BDBM50141593'   
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))
BDBM50141593
PNG
((E)-3-[7-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[b...)
Show SMILES CCOc1c(cc(cc1-c1cccc2cc(sc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H30O3S/c1-7-29-25-21(16(4)5)12-19(15(2)3)13-22(25)20-10-8-9-18-14-23(30-26(18)20)17(6)11-24(27)28/h8-16H,7H2,1-6H3,(H,27,28)/b17-11+
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Article
PubMed
271n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha by [3H]-9-cis-RA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50141593
PNG
((E)-3-[7-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[b...)
Show SMILES CCOc1c(cc(cc1-c1cccc2cc(sc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H30O3S/c1-7-29-25-21(16(4)5)12-19(15(2)3)13-22(25)20-10-8-9-18-14-23(30-26(18)20)17(6)11-24(27)28/h8-16H,7H2,1-6H3,(H,27,28)/b17-11+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 390n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair