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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 = 'BDBM50141589'   
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))
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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Article
PubMed
16n/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))
BDBM50141589
PNG
((Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofu...)
Show SMILES CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H33FO4/c1-7-8-12-32-27-22(17(4)5)13-20(16(2)3)14-23(27)21-11-9-10-19-15-24(33-26(19)21)18(6)25(29)28(30)31/h9-11,13-17H,7-8,12H2,1-6H3,(H,30,31)/b25-18-
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/a 11n/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