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BDBM50032666 6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-nicotinic acid::CHEMBL109117

SMILES: Cc1cc2c(cc1C(=C)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C

InChI Key: InChIKey=ALRYLNXZUBATMZ-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 = 50032666   
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)
BDBM50032666
PNG
(6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO2/c1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 5n/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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032666
PNG
(6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO2/c1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 6n/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)
BDBM50032666
PNG
(6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO2/c1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 9n/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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032666
PNG
(6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO2/c1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26)
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n/an/an/a 22n/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)
BDBM50032666
PNG
(6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO2/c1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26)
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n/an/an/a 39n/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
Retinoid X receptor beta


(Mus musculus)
BDBM50032666
PNG
(6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-nap...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO2/c1-14-11-18-19(23(5,6)10-9-22(18,3)4)12-17(14)15(2)20-8-7-16(13-24-20)21(25)26/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,25,26)
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PubMed
n/an/an/a 61n/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