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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50129725'   
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 receptor


(Homo sapiens (Human))
BDBM50129725
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-diisopropyl-phenyl)-3-m...)
Show SMILES CCCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H36O3/c1-8-9-13-28-25-22(18(4)5)15-21(17(2)3)16-23(25)20(7)12-10-11-19(6)14-24(26)27/h10-12,14-18H,8-9,13H2,1-7H3,(H,26,27)/b11-10+,19-14+,20-12-
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-ATRA from Retinoic acid receptor gamma 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
Retinoid receptor


(Homo sapiens (Human))
BDBM50129725
PNG
((2E,4E,6Z)-7-(2-Butoxy-3,5-diisopropyl-phenyl)-3-m...)
Show SMILES CCCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H36O3/c1-8-9-13-28-25-22(18(4)5)15-21(17(2)3)16-23(25)20(7)12-10-11-19(6)14-24(26)27/h10-12,14-18H,8-9,13H2,1-7H3,(H,26,27)/b11-10+,19-14+,20-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]-ATRA as radioligand


J Med Chem 46: 2683-96 (2003)


Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3
More data for this
Ligand-Target Pair