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BDBM50033066 4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-benzoic acid::CHEMBL101308

SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O

InChI Key: InChIKey=PBXZHEOVJMPKDY-UHFFFAOYSA-N

Data: 2 IC50  6 Kd  10 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50033066   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 2.04E+3n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RAR gamma) 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
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/a>2.50E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)


BindingDB Entry DOI: 10.7270/Q2J38VG8
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/a>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR beta


J Med Chem 37: 2930-41 (1994)


BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RAR alpha) 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
Retinoid X receptor gamma


(Mus musculus)
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 2.84E+3n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR gamma) 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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 2.97E+3n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RXR alpha) 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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 3.00E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against Retinoic acid receptor RXR-alpha


J Med Chem 38: 3368-83 (1995)


BindingDB Entry DOI: 10.7270/Q24748WR
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 3.20E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentrations against Retinoic acid receptor RXR-beta


J Med Chem 38: 3368-83 (1995)


BindingDB Entry DOI: 10.7270/Q24748WR
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 1.70E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentrations against Retinoic acid receptor RXR-gamma


J Med Chem 38: 3368-83 (1995)


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


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 3.00E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against Retinoic acid receptor RXR-alpha


J Med Chem 38: 3368-83 (1995)


BindingDB Entry DOI: 10.7270/Q24748WR
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/a>1.00E+3n/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 gamma


J Med Chem 37: 2930-41 (1994)


BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/a>1.00E+3n/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-alpha


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/a>1.00E+3n/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 alpha


J Med Chem 37: 2930-41 (1994)


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


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 1.39E+3n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Effective concentration against retinoid receptor isoform (RAR 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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/a>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to baculovirus expressed retinoid receptor RAR alpha


J Med Chem 37: 2930-41 (1994)


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


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/a>1.00E+3n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity against [3H]-ATRA binding to retinoid receptor isoform (RAR gamma) expressed in baculovirus


J Med Chem 37: 2930-41 (1994)


BindingDB Entry DOI: 10.7270/Q27080G3
More data for this
Ligand-Target Pair
Cytochrome P450 26B1


(Homo sapiens (Human))
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/a>2.50E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...


J Med Chem 59: 2579-95 (2016)


BindingDB Entry DOI: 10.7270/Q2J38VG8
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50033066
PNG
(4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H24O3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)19(23)14-5-7-15(8-6-14)20(24)25/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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n/an/an/an/a 937n/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