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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 = 'BDBM50146334'   
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))
BDBM50146334
PNG
((E)-3-[3-(2-Butoxy-3,5-diisopropyl-phenyl)-1H-indo...)
Show SMILES CCCCOc1c(cc(cc1-c1c[nH]c2ccc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H35NO3/c1-7-8-11-32-28-22(18(4)5)14-21(17(2)3)15-24(28)25-16-29-26-10-9-20(13-23(25)26)19(6)12-27(30)31/h9-10,12-18,29H,7-8,11H2,1-6H3,(H,30,31)/b19-12+
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Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-9-cis-RA from Retinoid X receptor alpha in CV-1 cells


Bioorg Med Chem Lett 14: 2759-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.073
BindingDB Entry DOI: 10.7270/Q2513XNB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50146334
PNG
((E)-3-[3-(2-Butoxy-3,5-diisopropyl-phenyl)-1H-indo...)
Show SMILES CCCCOc1c(cc(cc1-c1c[nH]c2ccc(cc12)C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C28H35NO3/c1-7-8-11-32-28-22(18(4)5)14-21(17(2)3)15-24(28)25-16-29-26-10-9-20(13-23(25)26)19(6)12-27(30)31/h9-10,12-18,29H,7-8,11H2,1-6H3,(H,30,31)/b19-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for antagonistic activity against RXR-alpha expressed in CV-1 cells


Bioorg Med Chem Lett 14: 2759-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.073
BindingDB Entry DOI: 10.7270/Q2513XNB
More data for this
Ligand-Target Pair