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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 = 'BDBM50177163'   
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))
BDBM50177163
PNG
(1-(bis(4-chlorophenyl)methyl)-3-(4-bromophenyl)ure...)
Show SMILES Clc1ccc(cc1)C(NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15BrCl2N2O/c21-15-5-11-18(12-6-15)24-20(26)25-19(13-1-7-16(22)8-2-13)14-3-9-17(23)10-4-14/h1-12,19H,(H2,24,25,26)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
BindingDB Entry DOI: 10.7270/Q22N5338
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50177163
PNG
(1-(bis(4-chlorophenyl)methyl)-3-(4-bromophenyl)ure...)
Show SMILES Clc1ccc(cc1)C(NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15BrCl2N2O/c21-15-5-11-18(12-6-15)24-20(26)25-19(13-1-7-16(22)8-2-13)14-3-9-17(23)10-4-14/h1-12,19H,(H2,24,25,26)
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/an/an/a 700n/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay


J Med Chem 48: 7486-90 (2005)


Article DOI: 10.1021/jm0503906
BindingDB Entry DOI: 10.7270/Q22N5338
More data for this
Ligand-Target Pair