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BDBM239143 (E)-N-(1,3-Dihydroxy-2-(hydroxymethylpropan-2-yl)-4-oxo-6-p-tolylhex-5-enamide (3e)

SMILES: Cc1ccc(\C=C\C(=O)CCC(=O)NC(CO)(CO)CO)cc1

InChI Key: InChIKey=FNQDYMCVEUXEJK-VOTSOKGWSA-N

Data: 2 KI  2 IC50

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 2 hits for monomerid = 239143   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM239143
PNG
((E)-N-(1,3-Dihydroxy-2-(hydroxymethylpropan-2-yl)-...)
Show SMILES Cc1ccc(\C=C\C(=O)CCC(=O)NC(CO)(CO)CO)cc1
Show InChI InChI=1S/C17H23NO5/c1-13-2-4-14(5-3-13)6-7-15(22)8-9-16(23)18-17(10-19,11-20)12-21/h2-7,19-21H,8-12H2,1H3,(H,18,23)/b7-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/a>1.00E+4n/an/an/an/an/an/a



Cairo University



Assay Description
Membranes from HEK-293 cells transfected with the human recombinant CB1 receptor(Bmax=2.5pmol/mg protein) and human recombinant CB2 receptor (B max=4...


J Enzyme Inhib Med Chem 28: 436-9 (2013)


Article DOI: 10.3109/14756366.2011.645241
BindingDB Entry DOI: 10.7270/Q24M93FJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM239143
PNG
((E)-N-(1,3-Dihydroxy-2-(hydroxymethylpropan-2-yl)-...)
Show SMILES Cc1ccc(\C=C\C(=O)CCC(=O)NC(CO)(CO)CO)cc1
Show InChI InChI=1S/C17H23NO5/c1-13-2-4-14(5-3-13)6-7-15(22)8-9-16(23)18-17(10-19,11-20)12-21/h2-7,19-21H,8-12H2,1H3,(H,18,23)/b7-6+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/a>1.00E+4n/an/an/an/an/an/a



Cairo University



Assay Description
Membranes from HEK-293 cells transfected with the human recombinant CB1 receptor(Bmax=2.5pmol/mg protein) and human recombinant CB2 receptor (B max=4...


J Enzyme Inhib Med Chem 28: 436-9 (2013)


Article DOI: 10.3109/14756366.2011.645241
BindingDB Entry DOI: 10.7270/Q24M93FJ
More data for this
Ligand-Target Pair