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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 Ligand = 'BDBM50143823'   
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 alpha


(Homo sapiens (Human))
BDBM50143823
PNG
((E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tet...)
Show SMILES Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+
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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
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50143823
PNG
((E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tet...)
Show SMILES Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+3n/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
Retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50143823
PNG
((E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tet...)
Show SMILES Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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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