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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 = 'BDBM50301751'   
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))
BDBM50301751
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(5-iso...)
Show SMILES CC(C)c1c[nH]c(n1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-12(2)18-11-26-22(27-18)20-13(3)21(14-4-6-15(23)7-5-14)29(28-20)19-9-8-16(24)10-17(19)25/h4-12H,1-3H3,(H,26,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301751
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(5-iso...)
Show SMILES CC(C)c1c[nH]c(n1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-12(2)18-11-26-22(27-18)20-13(3)21(14-4-6-15(23)7-5-14)29(28-20)19-9-8-16(24)10-17(19)25/h4-12H,1-3H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
BindingDB Entry DOI: 10.7270/Q2KP827S
More data for this
Ligand-Target Pair