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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 = 'BDBM50176414'   
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))
BDBM50176414
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-isopropyl-...)
Show SMILES CC(C)c1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N4O/c1-12(2)20-28-17-18(21(32)30(20)11-22(25,26)27)29-31(16-6-4-3-5-15(16)24)19(17)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3
PDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor transfected in HEK293 cells


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176414
PNG
(2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-isopropyl-...)
Show SMILES CC(C)c1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2F3N4O/c1-12(2)20-28-17-18(21(32)30(20)11-22(25,26)27)29-31(16-6-4-3-5-15(16)24)19(17)13-7-9-14(23)10-8-13/h3-10,12H,11H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development-Groton Laboratories

Curated by ChEMBL


Assay Description
Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]gammaS assay


Bioorg Med Chem Lett 16: 731-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.019
BindingDB Entry DOI: 10.7270/Q2TM79PM
More data for this
Ligand-Target Pair