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BDBM50048285 4-{(E)-2-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl]-propenyl}-benzoic acid::CHEMBL356326

SMILES: COc1ccc(cc1C1(C)CCCCC1)C(\C)=C\c1ccc(cc1)C(O)=O

InChI Key: InChIKey=QANMIASYTMOQAE-BMRADRMJSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50048285   
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)
BDBM50048285
PNG
(4-{(E)-2-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES COc1ccc(cc1C1(C)CCCCC1)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+
PDB
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PubMed
17n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens)
BDBM50048285
PNG
(4-{(E)-2-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES COc1ccc(cc1C1(C)CCCCC1)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+
PDB
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PubMed
29n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens)
BDBM50048285
PNG
(4-{(E)-2-[4-Methoxy-3-(1-methyl-cyclohexyl)-phenyl...)
Show SMILES COc1ccc(cc1C1(C)CCCCC1)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+
PDB
MMDB

NCI pathway
Reactome pathway
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
420n/an/an/an/an/an/an/an/a



CIRD GALDERMA

Curated by ChEMBL


Assay Description
Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand


Citation and Details
More data for this
Ligand-Target Pair