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BDBM50040021 4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-benzoic acid::CHEMBL99325

SMILES: CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C

InChI Key: InChIKey=GFHBKJYHFOVYOH-UHFFFAOYSA-N

Data: 6 Kd  6 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 12 hits for monomerid = 50040021   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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n/an/an/a 55n/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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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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)
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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n/an/an/a 142n/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)
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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n/an/an/a 75n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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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 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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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n/an/an/an/a 207n/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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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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))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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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
Retinoid X receptor gamma


(Mus musculus)
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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n/an/an/an/a 227n/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
Retinoid X receptor beta


(Mus musculus)
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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n/an/an/an/a 289n/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
Retinoid receptor


(Homo sapiens (Human))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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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 receptor


(Homo sapiens (Human))
BDBM50040021
PNG
(4-[1-(3-Isopropyl-5,5,8,8-tetramethyl-5,6,7,8-tetr...)
Show SMILES CC(C)c1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H32O2/c1-16(2)20-14-22-23(26(6,7)13-12-25(22,4)5)15-21(20)17(3)18-8-10-19(11-9-18)24(27)28/h8-11,14-16H,3,12-13H2,1-2,4-7H3,(H,27,28)
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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 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