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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Monomerid = 50143827   
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))
BDBM50143827
PNG
((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...)
Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
Show InChI InChI=1/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+
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PC cid
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50143827
PNG
((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...)
Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
Show InChI InChI=1/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Effective concentration for retinoic acid receptor alpha induced lipogenesis in C3H10T1/2 clone 8 fibroblast cells


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50143827
PNG
((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...)
Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
Show InChI InChI=1/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Effective concentration for Retinoic acid receptor alpha activity in CV-1 cells


J Med Chem 47: 2010-29 (2004)


Article DOI: 10.1021/jm030565g
BindingDB Entry DOI: 10.7270/Q2KH0MRC
More data for this
Ligand-Target Pair