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BDBM50267403 CHEMBL477864::cyclopropyl(4-(2,5-dichlorophenylsulfonyl)piperazin-1-yl)methanone

SMILES: Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1

InChI Key: InChIKey=NKGQEURLMKSCFY-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 = 50267403   
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))
BDBM50267403
PNG
(CHEMBL477864 | cyclopropyl(4-(2,5-dichlorophenylsu...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C14H16Cl2N2O3S/c15-11-3-4-12(16)13(9-11)22(20,21)18-7-5-17(6-8-18)14(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 90n/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))
BDBM50267403
PNG
(CHEMBL477864 | cyclopropyl(4-(2,5-dichlorophenylsu...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C14H16Cl2N2O3S/c15-11-3-4-12(16)13(9-11)22(20,21)18-7-5-17(6-8-18)14(19)10-1-2-10/h3-4,9-10H,1-2,5-8H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40E+3n/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