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BDBM239140 (E)-N-(1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)-4-oxo-6-phenylhex-5-enamide (3b)

SMILES: OCC(CO)(CO)NC(=O)CCC(=O)\C=C\c1ccccc1

InChI Key: InChIKey=SCODIYYFUHKDLG-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 = 239140   
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))
BDBM239140
PNG
((E)-N-(1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)...)
Show SMILES OCC(CO)(CO)NC(=O)CCC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H21NO5/c18-10-16(11-19,12-20)17-15(22)9-8-14(21)7-6-13-4-2-1-3-5-13/h1-7,18-20H,8-12H2,(H,17,22)/b7-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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))
BDBM239140
PNG
((E)-N-(1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)...)
Show SMILES OCC(CO)(CO)NC(=O)CCC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C16H21NO5/c18-10-16(11-19,12-20)17-15(22)9-8-14(21)7-6-13-4-2-1-3-5-13/h1-7,18-20H,8-12H2,(H,17,22)/b7-6+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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