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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 = 'BDBM50296143'   
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))
BDBM50296143
PNG
(4-(indolin-1-ylsulfonyl)-N-(2-phenoxyphenyl)benzam...)
Show SMILES O=C(Nc1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C27H22N2O4S/c30-27(28-24-11-5-7-13-26(24)33-22-9-2-1-3-10-22)21-14-16-23(17-15-21)34(31,32)29-19-18-20-8-4-6-12-25(20)29/h1-17H,18-19H2,(H,28,30)
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PC cid
PC sid
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Similars

Article
PubMed
256n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50296143
PNG
(4-(indolin-1-ylsulfonyl)-N-(2-phenoxyphenyl)benzam...)
Show SMILES O=C(Nc1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C27H22N2O4S/c30-27(28-24-11-5-7-13-26(24)33-22-9-2-1-3-10-22)21-14-16-23(17-15-21)34(31,32)29-19-18-20-8-4-6-12-25(20)29/h1-17H,18-19H2,(H,28,30)
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/an/an/a 200n/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor by [35S]GTPgammaS incorporation assay


Bioorg Med Chem Lett 19: 4183-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.114
BindingDB Entry DOI: 10.7270/Q2XP75VT
More data for this
Ligand-Target Pair