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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50277192'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277192
PNG
(4-(5-(4-(cyclohexylmethyl)thiazol-2-yl)-2-methylph...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nc(CC2CCCCC2)cs1
Show InChI InChI=1S/C21H28N2O3S2/c1-16-7-8-18(14-20(16)28(24,25)23-9-11-26-12-10-23)21-22-19(15-27-21)13-17-5-3-2-4-6-17/h7-8,14-15,17H,2-6,9-13H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
390n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277192
PNG
(4-(5-(4-(cyclohexylmethyl)thiazol-2-yl)-2-methylph...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nc(CC2CCCCC2)cs1
Show InChI InChI=1S/C21H28N2O3S2/c1-16-7-8-18(14-20(16)28(24,25)23-9-11-26-12-10-23)21-22-19(15-27-21)13-17-5-3-2-4-6-17/h7-8,14-15,17H,2-6,9-13H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
390n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair