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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50101446'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50101446
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1
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n/an/an/a 60n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-alpha


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50101446
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1
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Article
PubMed
n/an/an/a 60n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Dissociation constant for Retinoid X receptor alpha


J Med Chem 48: 6212-9 (2005)


Article DOI: 10.1021/jm050285w
BindingDB Entry DOI: 10.7270/Q26D5SJ6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50101446
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m0/s1
PDB
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NCI pathway
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KEGG

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha


J Med Chem 44: 2298-303 (2001)


Article DOI: 10.1021/jm0100584
BindingDB Entry DOI: 10.7270/Q2P84B41
More data for this
Ligand-Target Pair