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BDBM50129724 7-(3,5-Diisopropyl-2-propoxy-phenyl)-3-methyl-octa-2,4,6-trienoic acid::CHEMBL91779

SMILES: CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C

InChI Key: InChIKey=TYMBNWYPCYSZOZ-RSMBVSHGSA-N

Data: 2 KI  1 IC50  1 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 4 hits for monomerid = 50129724   
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
RXR alpha/PPAR gamma


(Homo sapiens)
BDBM50129724
PNG
(7-(3,5-Diisopropyl-2-propoxy-phenyl)-3-methyl-octa...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C24H34O3/c1-8-12-27-24-21(17(4)5)14-20(16(2)3)15-22(24)19(7)11-9-10-18(6)13-23(25)26/h9-11,13-17H,8,12H2,1-7H3,(H,25,26)/b10-9+,18-13+,19-11-
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Article
PubMed
3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand


J Med Chem 46: 2683-96 (2003)

More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50129724
PNG
(7-(3,5-Diisopropyl-2-propoxy-phenyl)-3-methyl-octa...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C24H34O3/c1-8-12-27-24-21(17(4)5)14-20(16(2)3)15-22(24)19(7)11-9-10-18(6)13-23(25)26/h9-11,13-17H,8,12H2,1-7H3,(H,25,26)/b10-9+,18-13+,19-11-
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]-ATRA as radioligand


J Med Chem 46: 2683-96 (2003)

More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha


(Homo sapiens (human))
BDBM50129724
PNG
(7-(3,5-Diisopropyl-2-propoxy-phenyl)-3-methyl-octa...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C24H34O3/c1-8-12-27-24-21(17(4)5)14-20(16(2)3)15-22(24)19(7)11-9-10-18(6)13-23(25)26/h9-11,13-17H,8,12H2,1-7H3,(H,25,26)/b10-9+,18-13+,19-11-
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Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro


J Med Chem 46: 2683-96 (2003)

More data for this
Ligand-Target Pair
RXR alpha/PPAR gamma


(Homo sapiens)
BDBM50129724
PNG
(7-(3,5-Diisopropyl-2-propoxy-phenyl)-3-methyl-octa...)
Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C24H34O3/c1-8-12-27-24-21(17(4)5)14-20(16(2)3)15-22(24)19(7)11-9-10-18(6)13-23(25)26/h9-11,13-17H,8,12H2,1-7H3,(H,25,26)/b10-9+,18-13+,19-11-
PDB
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Retinoic acid receptor RXR-alpha antagonist was determined in vitro


J Med Chem 46: 2683-96 (2003)

More data for this
Ligand-Target Pair