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BDBM50334580 CHEMBL1641962::N-(4-Oxo-1-pentyl-6-phenyl-1,4-dihydropyridin-3-yl)cyclohexanecarboxamide

SMILES: CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1

InChI Key: InChIKey=FDWCSFDJVYUHFD-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50334580   
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))
BDBM50334580
PNG
(CHEMBL1641962 | N-(4-Oxo-1-pentyl-6-phenyl-1,4-dih...)
Show SMILES CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(24-23(27)19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)
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PC cid
PC sid
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Article
PubMed
51n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334580
PNG
(CHEMBL1641962 | N-(4-Oxo-1-pentyl-6-phenyl-1,4-dih...)
Show SMILES CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(24-23(27)19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)
PDB

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>3.00E+3n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334580
PNG
(CHEMBL1641962 | N-(4-Oxo-1-pentyl-6-phenyl-1,4-dih...)
Show SMILES CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-2-3-10-15-25-17-20(24-23(27)19-13-8-5-9-14-19)22(26)16-21(25)18-11-6-4-7-12-18/h4,6-7,11-12,16-17,19H,2-3,5,8-10,13-15H2,1H3,(H,24,27)
PDB

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PC sid
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PubMed
n/an/an/an/a 25n/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair