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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Monomerid = 50135453   
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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50135453
PNG
((2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-3-isopropyl-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccs1
Show InChI InChI=1S/C24H26F2O3S/c1-15(2)19-12-18(21-9-6-10-30-21)13-20(24(19)29-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8-
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RXR gamma receptor using [3H]-9-cis-RA as radioligand in CV-1 cells


Bioorg Med Chem Lett 13: 4071-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.048
BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50135453
PNG
((2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-3-isopropyl-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccs1
Show InChI InChI=1S/C24H26F2O3S/c1-15(2)19-12-18(21-9-6-10-30-21)13-20(24(19)29-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.56E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against RAR alpha receptor using [3H]-ATRA as radioligand in CV-1 cells


Bioorg Med Chem Lett 13: 4071-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.048
BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair