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BDBM50048295 4-[(E)-2-(3-tert-Butyl-4-methoxy-phenyl)-propenyl]-benzoic acid::CHEMBL74826

SMILES: COc1ccc(cc1C(C)(C)C)C(\C)=C\c1ccc(cc1)C(O)=O

InChI Key: InChIKey=BLEJDTRDMNNODF-WYMLVPIESA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50048295   
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)
BDBM50048295
PNG
(4-[(E)-2-(3-tert-Butyl-4-methoxy-phenyl)-propenyl]...)
Show SMILES COc1ccc(cc1C(C)(C)C)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H24O3/c1-14(12-15-6-8-16(9-7-15)20(22)23)17-10-11-19(24-5)18(13-17)21(2,3)4/h6-13H,1-5H3,(H,22,23)/b14-12+
PDB
MMDB

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PC sid
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Similars

PubMed
12n/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)
BDBM50048295
PNG
(4-[(E)-2-(3-tert-Butyl-4-methoxy-phenyl)-propenyl]...)
Show SMILES COc1ccc(cc1C(C)(C)C)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H24O3/c1-14(12-15-6-8-16(9-7-15)20(22)23)17-10-11-19(24-5)18(13-17)21(2,3)4/h6-13H,1-5H3,(H,22,23)/b14-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
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Similars

PubMed
13n/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)
BDBM50048295
PNG
(4-[(E)-2-(3-tert-Butyl-4-methoxy-phenyl)-propenyl]...)
Show SMILES COc1ccc(cc1C(C)(C)C)C(\C)=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H24O3/c1-14(12-15-6-8-16(9-7-15)20(22)23)17-10-11-19(24-5)18(13-17)21(2,3)4/h6-13H,1-5H3,(H,22,23)/b14-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
130n/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