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BDBM50334584 CHEMBL1641938::N3-(Cyclohexyl)-6-tert-butyl-1-pentyl-4-oxo-1,4-dihydropyridine-3-carboxamide

SMILES: CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C

InChI Key: InChIKey=GSORWXVWMXUESR-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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

Found 3 hits for monomerid = 50334584   
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))
BDBM50334584
PNG
(CHEMBL1641938 | N3-(Cyclohexyl)-6-tert-butyl-1-pen...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H34N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h14-16H,5-13H2,1-4H3,(H,22,25)
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PC sid
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Similars

Article
PubMed
29n/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))
BDBM50334584
PNG
(CHEMBL1641938 | N3-(Cyclohexyl)-6-tert-butyl-1-pen...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H34N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h14-16H,5-13H2,1-4H3,(H,22,25)
PDB

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Article
PubMed
>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))
BDBM50334584
PNG
(CHEMBL1641938 | N3-(Cyclohexyl)-6-tert-butyl-1-pen...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1C(C)(C)C
Show InChI InChI=1S/C21H34N2O2/c1-5-6-10-13-23-15-17(18(24)14-19(23)21(2,3)4)20(25)22-16-11-8-7-9-12-16/h14-16H,5-13H2,1-4H3,(H,22,25)
PDB

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Article
PubMed
n/an/an/an/a 7.80n/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