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PubMed code 20667724

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50325035
PNG
(5-(pyridin-3-ylmethylene)-2-(3-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cccc(NC2=NC(=O)C(S2)=Cc2cccnc2)c1
Show InChI InChI=1S/C16H10F3N3OS/c17-16(18,19)11-4-1-5-12(8-11)21-15-22-14(23)13(24-15)7-10-3-2-6-20-9-10/h1-9H,(H,21,22,23)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor expressed in CHOK1 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5130-2 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.018
BindingDB Entry DOI: 10.7270/Q23778X1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50325036
PNG
(CHEMBL1223234 | [6,6-Dimethyl-3-(2-methyl-allyl)-4...)
Show SMILES COC(=O)CSc1nc2sc3COC(C)(C)Cc3c2c(=O)n1CC(C)=C
Show InChI InChI=1S/C18H22N2O4S2/c1-10(2)7-20-16(22)14-11-6-18(3,4)24-8-12(11)26-15(14)19-17(20)25-9-13(21)23-5/h1,6-9H2,2-5H3
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor expressed in CHOK1 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5130-2 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.018
BindingDB Entry DOI: 10.7270/Q23778X1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%