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BDBM50267260 1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2-(2-(trifluoromethyl)phenyl)ethanone::CHEMBL514697

SMILES: FC(F)(F)c1ccccc1CC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=ZJDHNKQXFQFOCP-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50267260   
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))
BDBM50267260
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H17Cl2F3N2O3S/c20-14-10-15(21)12-16(11-14)30(28,29)26-7-5-25(6-8-26)18(27)9-13-3-1-2-4-17(13)19(22,23)24/h1-4,10-12H,5-9H2
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1R expressed in CHO cells assessed as increase in forskolin-stimulated cAMP level


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267260
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H17Cl2F3N2O3S/c20-14-10-15(21)12-16(11-14)30(28,29)26-7-5-25(6-8-26)18(27)9-13-3-1-2-4-17(13)19(22,23)24/h1-4,10-12H,5-9H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair