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BDBM50267543 1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-3-(4-(trifluoromethyl)phenyl)propan-1-one::CHEMBL489031

SMILES: FC(F)(F)c1ccc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1

InChI Key: InChIKey=GOYBAYBWIMTDHO-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 = 50267543   
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))
BDBM50267543
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-3...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H19Cl2F3N2O3S/c21-16-11-17(22)13-18(12-16)31(29,30)27-9-7-26(8-10-27)19(28)6-3-14-1-4-15(5-2-14)20(23,24)25/h1-2,4-5,11-13H,3,6-10H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.5n/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))
BDBM50267543
PNG
(1-(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)-3...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C20H19Cl2F3N2O3S/c21-16-11-17(22)13-18(12-16)31(29,30)27-9-7-26(8-10-27)19(28)6-3-14-1-4-15(5-2-14)20(23,24)25/h1-2,4-5,11-13H,3,6-10H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/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