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BDBM50045268 4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid::4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid::CHEMBL86663

SMILES: C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

InChI Key: InChIKey=FOIVPCKZDPCJJY-PEZBUJJGSA-N

Data: 3 Kd  4 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 7 hits for monomerid = 50045268   
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))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/an/a 700n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RAR-gamma receptor


J Med Chem 36: 2605-13 (1993)


BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/an/a 1.00E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RAR-alpha receptor


J Med Chem 36: 2605-13 (1993)


BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/an/a 2.70E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against RXR-alpha receptor


J Med Chem 36: 2605-13 (1993)


BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/a 72n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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n/an/an/a 5n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
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PubMed
n/an/an/a 26n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma


J Med Chem 39: 3035-8 (1996)


Article DOI: 10.1021/jm9603532
BindingDB Entry DOI: 10.7270/Q2W37VD3
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50045268
PNG
(4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...)
Show SMILES C\C(=C\c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14-
PDB
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PC cid
PC sid
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PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Effective concentration against Retinoic acid receptor beta


J Med Chem 36: 2605-13 (1993)


BindingDB Entry DOI: 10.7270/Q21R6PKP
More data for this
Ligand-Target Pair