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BDBM50267903 CHEMBL525204::cyclohexyl(2,2-dimethyl-4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone

SMILES: CC1(C)CN(CCN1C(=O)C1CCCCC1)S(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=WNJDEXBWZNHXJT-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 = 50267903   
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))
BDBM50267903
PNG
(CHEMBL525204 | cyclohexyl(2,2-dimethyl-4-(naphthal...)
Show SMILES CC1(C)CN(CCN1C(=O)C1CCCCC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H30N2O3S/c1-23(2)17-24(15-16-25(23)22(26)19-10-4-3-5-11-19)29(27,28)21-14-8-12-18-9-6-7-13-20(18)21/h6-9,12-14,19H,3-5,10-11,15-17H2,1-2H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.600n/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))
BDBM50267903
PNG
(CHEMBL525204 | cyclohexyl(2,2-dimethyl-4-(naphthal...)
Show SMILES CC1(C)CN(CCN1C(=O)C1CCCCC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H30N2O3S/c1-23(2)17-24(15-16-25(23)22(26)19-10-4-3-5-11-19)29(27,28)21-14-8-12-18-9-6-7-13-20(18)21/h6-9,12-14,19H,3-5,10-11,15-17H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/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