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BDBM50254129 CHEMBL467240::N-(3-chloro-4-fluorobenzyl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide

SMILES: CC(C)(C(=O)NCc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=IXKFOAYMHDSEDQ-UHFFFAOYSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50254129   
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))
BDBM50254129
PNG
(CHEMBL467240 | N-(3-chloro-4-fluorobenzyl)-2-(4-ch...)
Show SMILES CC(C)(C(=O)NCc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16Cl2FNO3S/c1-17(2,25(23,24)13-6-4-12(18)5-7-13)16(22)21-10-11-3-8-15(20)14(19)9-11/h3-9H,10H2,1-2H3,(H,21,22)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP55940-stimulated GTP binding


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50254129
PNG
(CHEMBL467240 | N-(3-chloro-4-fluorobenzyl)-2-(4-ch...)
Show SMILES CC(C)(C(=O)NCc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16Cl2FNO3S/c1-17(2,25(23,24)13-6-4-12(18)5-7-13)16(22)21-10-11-3-8-15(20)14(19)9-11/h3-9H,10H2,1-2H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in SF9 cells assessed as inhibition of CP55940-stimulated GTP binding


Bioorg Med Chem Lett 19: 31-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.026
BindingDB Entry DOI: 10.7270/Q2FF3S7X
More data for this
Ligand-Target Pair