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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Retinoid receptor' and Ligand = 'BDBM50048294'   
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 receptor


(Homo sapiens (Human))
BDBM50048294
PNG
(6-(3-tert-Butyl-4-hydroxy-phenyl)-naphthalene-2-ca...)
Show SMILES CC(C)(C)c1cc(ccc1O)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C21H20O3/c1-21(2,3)18-12-16(8-9-19(18)22)14-4-5-15-11-17(20(23)24)7-6-13(15)10-14/h4-12,22H,1-3H3,(H,23,24)
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200n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048294
PNG
(6-(3-tert-Butyl-4-hydroxy-phenyl)-naphthalene-2-ca...)
Show SMILES CC(C)(C)c1cc(ccc1O)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C21H20O3/c1-21(2,3)18-12-16(8-9-19(18)22)14-4-5-15-11-17(20(23)24)7-6-13(15)10-14/h4-12,22H,1-3H3,(H,23,24)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor gamma


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048294
PNG
(6-(3-tert-Butyl-4-hydroxy-phenyl)-naphthalene-2-ca...)
Show SMILES CC(C)(C)c1cc(ccc1O)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C21H20O3/c1-21(2,3)18-12-16(8-9-19(18)22)14-4-5-15-11-17(20(23)24)7-6-13(15)10-14/h4-12,22H,1-3H3,(H,23,24)
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>3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Retinoic acid receptor beta


Bioorg Med Chem Lett 7: 2289-2294 (1997)


Article DOI: 10.1016/S0960-894X(97)00405-8
BindingDB Entry DOI: 10.7270/Q2HD7W4M
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50048294
PNG
(6-(3-tert-Butyl-4-hydroxy-phenyl)-naphthalene-2-ca...)
Show SMILES CC(C)(C)c1cc(ccc1O)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C21H20O3/c1-21(2,3)18-12-16(8-9-19(18)22)14-4-5-15-11-17(20(23)24)7-6-13(15)10-14/h4-12,22H,1-3H3,(H,23,24)
PDB
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3.55E+3n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


J Med Chem 38: 4993-5006 (1996)


BindingDB Entry DOI: 10.7270/Q20G3J8S
More data for this
Ligand-Target Pair