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BDBM50032668 4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid::CHEMBL25244

SMILES: [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]

InChI Key: InChIKey=QDSXVZMDVWIEJZ-UHFFFAOYSA-N

Data: 3 Kd  3 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 6 hits for monomerid = 50032668   
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 X receptor gamma


(Mus musculus)
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
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n/an/an/a 150n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
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n/an/an/a 50n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
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n/an/an/an/a 240n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-gamma was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
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n/an/an/a 160n/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Retinoic acid receptor RXR-beta was determined in a competitive binding assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
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n/an/an/an/a 300n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-alpha was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50032668
PNG
(4-[2-Methyl-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES [#6]\[#6](-[#6])=[#6](/c1ccc(cc1)-[#6](-[#8])=O)-c1cc2c(cc1-[#6])C([#6])([#6])[#6]-[#6]C2([#6])[#6]
Show InChI InChI=1S/C26H32O2/c1-16(2)23(18-8-10-19(11-9-18)24(27)28)20-15-22-21(14-17(20)3)25(4,5)12-13-26(22,6)7/h8-11,14-15H,12-13H2,1-7H3,(H,27,28)
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UniChem

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PubMed
n/an/an/an/a 130n/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Ability to activate gene expression at Retinoic acid receptor RXR-beta was evaluated in a cotransfection assay.


J Med Chem 38: 3146-55 (1995)


BindingDB Entry DOI: 10.7270/Q2542MMT
More data for this
Ligand-Target Pair