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BDBM50334576 6-(4-Chlorophenyl)-4-oxo-1-pentyl-N3-(3(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxamide::CHEMBL1641954

SMILES: CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccc(Cl)cc1

InChI Key: InChIKey=BIRMGFPCHVWZNT-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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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 = 50334576   
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))
BDBM50334576
PNG
(6-(4-Chlorophenyl)-4-oxo-1-pentyl-N3-(3(trifluorom...)
Show SMILES CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClF3N2O2/c1-2-3-4-12-30-15-20(22(31)14-21(30)16-8-10-18(25)11-9-16)23(32)29-19-7-5-6-17(13-19)24(26,27)28/h5-11,13-15H,2-4,12H2,1H3,(H,29,32)
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Article
PubMed
>1.00E+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))
BDBM50334576
PNG
(6-(4-Chlorophenyl)-4-oxo-1-pentyl-N3-(3(trifluorom...)
Show SMILES CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClF3N2O2/c1-2-3-4-12-30-15-20(22(31)14-21(30)16-8-10-18(25)11-9-16)23(32)29-19-7-5-6-17(13-19)24(26,27)28/h5-11,13-15H,2-4,12H2,1H3,(H,29,32)
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Article
PubMed
>1.00E+3n/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 2


(Homo sapiens (Human))
BDBM50334576
PNG
(6-(4-Chlorophenyl)-4-oxo-1-pentyl-N3-(3(trifluorom...)
Show SMILES CCCCCn1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(=O)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClF3N2O2/c1-2-3-4-12-30-15-20(22(31)14-21(30)16-8-10-18(25)11-9-16)23(32)29-19-7-5-6-17(13-19)24(26,27)28/h5-11,13-15H,2-4,12H2,1H3,(H,29,32)
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Article
PubMed
n/an/an/an/a 158n/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