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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.4
BDBM50437428

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50437428
PNG
(CHEMBL2409025)
Show SMILES CCc1c(cnn1-c1ncc(C)c(n1)-c1cccs1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C21H20N6OS/c1-3-17-16(20(28)23-12-15-6-8-22-9-7-15)13-25-27(17)21-24-11-14(2)19(26-21)18-5-4-10-29-18/h4-11,13H,3,12H2,1-2H3,(H,23,28)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 transfected in HEK293 cells after 1 hr by inositol phosphate accumulation assay


ACS Med Chem Lett 4: 790-4 (2013)


Article DOI: 10.1021/ml400186z
BindingDB Entry DOI: 10.7270/Q24J0GHW
More data for this
Ligand-Target Pair