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BDBM50048063 CHEMBL3314943

SMILES: CCC\C=C\C\C=C\CCC\C=C\C=C\C(=O)NCC(C)CC

InChI Key: InChIKey=HGYPPGZPVQBDIS-UWKXONKZNA-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 4 hits for monomerid = 50048063   
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 1


(Homo sapiens (Human))
BDBM50048063
PNG
(CHEMBL3314943)
Show SMILES CCC\C=C\C\C=C\CCC\C=C\C=C\C(=O)NCC(C)CC
Show InChI InChI=1/C21H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20(3)5-2/h7-8,10-11,15-18,20H,4-6,9,12-14,19H2,1-3H3,(H,22,23)/b8-7+,11-10+,16-15+,18-17+
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PC sid
UniChem
Article
PubMed
310n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 expressed in CHO-K1 cells after 2 hrs by liquid scintillation counting


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50048063
PNG
(CHEMBL3314943)
Show SMILES CCC\C=C\C\C=C\CCC\C=C\C=C\C(=O)NCC(C)CC
Show InChI InChI=1/C21H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20(3)5-2/h7-8,10-11,15-18,20H,4-6,9,12-14,19H2,1-3H3,(H,22,23)/b8-7+,11-10+,16-15+,18-17+
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1.21E+3n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB2 expressed in CHO-K1 cells after 2 hrs by liquid scintillation counting


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50048063
PNG
(CHEMBL3314943)
Show SMILES CCC\C=C\C\C=C\CCC\C=C\C=C\C(=O)NCC(C)CC
Show InChI InChI=1/C21H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20(3)5-2/h7-8,10-11,15-18,20H,4-6,9,12-14,19H2,1-3H3,(H,22,23)/b8-7+,11-10+,16-15+,18-17+
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [ethanol-amine-1-3H]AEA hydrolysis in human U937 cells preincubated for 15 mins measured 15 mins post AEA addition by liq...


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50048063
PNG
(CHEMBL3314943)
Show SMILES CCC\C=C\C\C=C\CCC\C=C\C=C\C(=O)NCC(C)CC
Show InChI InChI=1/C21H35NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22-19-20(3)5-2/h7-8,10-11,15-18,20H,4-6,9,12-14,19H2,1-3H3,(H,22,23)/b8-7+,11-10+,16-15+,18-17+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL-mediated [glycerol-1,2,3-3H]-2-OG hydrolysis preincubated for 15 mins measured 15 mins post 2-OG addition by liquid sc...


J Nat Prod 77: 1663-9 (2014)


Article DOI: 10.1021/np500292g
BindingDB Entry DOI: 10.7270/Q269757F
More data for this
Ligand-Target Pair