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BDBM50267259 1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone::CHEMBL477267

SMILES: FC(F)(F)c1cccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1

InChI Key: InChIKey=VJCOAHGJGIGIFQ-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 = 50267259   
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))
BDBM50267259
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-6-4-25(5-7-26)18(27)9-13-2-1-3-14(8-13)19(22,23)24/h1-3,8,10-12H,4-7,9H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.60n/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))
BDBM50267259
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-2...)
Show SMILES FC(F)(F)c1cccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C19H17Cl2F3N2O3S/c20-15-10-16(21)12-17(11-15)30(28,29)26-6-4-25(5-7-26)18(27)9-13-2-1-3-14(8-13)19(22,23)24/h1-3,8,10-12H,4-7,9H2
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 150n/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