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BDBM50267940 (4-(3,5-bis(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)(phenyl)methanone::CHEMBL521163

SMILES: FC(F)(F)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1)C(F)(F)F

InChI Key: InChIKey=PIYWKJKVVMSCGG-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50267940   
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))
BDBM50267940
PNG
((4-(3,5-bis(trifluoromethyl)phenylsulfonyl)piperaz...)
Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C19H16F6N2O3S/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)31(29,30)27-8-6-26(7-9-27)17(28)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
PDB

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Similars

Article
PubMed
n/an/a>1.00E+4n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267940
PNG
((4-(3,5-bis(trifluoromethyl)phenylsulfonyl)piperaz...)
Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C19H16F6N2O3S/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)31(29,30)27-8-6-26(7-9-27)17(28)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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