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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 = 50075367   
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))
BDBM50075367
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+
PDB
MMDB

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B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 14n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 9: 589-94 (1999)


Article DOI: 10.1016/s0960-894x(99)00048-7
BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075367
PNG
((2E,4E)-3-Methyl-5-{2-[(E)-2-(2,6,6-trimethyl-cycl...)
Show SMILES C\C(\C=C\c1ccoc1\C=C\C1=C(C)CCCC1(C)C)=C/C(O)=O
Show InChI InChI=1S/C21H26O3/c1-15(14-20(22)23)7-8-17-11-13-24-19(17)10-9-18-16(2)6-5-12-21(18,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,22,23)/b8-7+,10-9+,15-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>0.00100n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-RA binding to retinoic acid receptor RAR alpha


Bioorg Med Chem Lett 9: 589-94 (1999)


Article DOI: 10.1016/s0960-894x(99)00048-7
BindingDB Entry DOI: 10.7270/Q2J38RQ5
More data for this
Ligand-Target Pair