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BDBM50267821 CHEMBL445204::cyclopropyl(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)methanone

SMILES: Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1

InChI Key: InChIKey=AYYDIDDDTKUDTB-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50267821   
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))
BDBM50267821
PNG
(CHEMBL445204 | cyclopropyl(4-(3,5-dichlorophenylsu...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C14H16Cl2N2O3S/c15-11-7-12(16)9-13(8-11)22(20,21)18-5-3-17(4-6-18)14(19)10-1-2-10/h7-10H,1-6H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 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))
BDBM50267821
PNG
(CHEMBL445204 | cyclopropyl(4-(3,5-dichlorophenylsu...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C14H16Cl2N2O3S/c15-11-7-12(16)9-13(8-11)22(20,21)18-5-3-17(4-6-18)14(19)10-1-2-10/h7-10H,1-6H2
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 780n/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