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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-beta' and Ligand = 'BDBM50033079'   
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 RXR-beta


(Homo sapiens (Human))
BDBM50033079
PNG
(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
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Article
199n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Mus musculus)
BDBM50033079
PNG
(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
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n/an/an/a 199n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to baculovirus expressed retinoid receptor RXR beta


J Med Chem 37: 2930-41 (1994)


BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50033079
PNG
(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
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n/an/an/an/a 39n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentrations against Retinoid X receptor RXR beta


J Med Chem 38: 3368-83 (1995)


BindingDB Entry DOI: 10.7270/Q24748WR
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Homo sapiens (Human))
BDBM50033079
PNG
(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
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Article
n/an/an/an/a 486n/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-beta


(Mus musculus)
BDBM50033079
PNG
(4-[1-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=C)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H26O2/c1-15(16-6-8-17(9-7-16)21(24)25)18-10-11-19-20(14-18)23(4,5)13-12-22(19,2)3/h6-11,14H,1,12-13H2,2-5H3,(H,24,25)
PDB
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PubMed
n/an/an/an/a 486n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR beta) expressed in CV-1 cells


J Med Chem 37: 2930-41 (1994)


BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair