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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.5
BDBM50395788

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))
BDBM50395788
PNG
(CHEMBL2164846)
Show SMILES C[C@H](N[C@@H](Cc1ccccc1)C(=O)Nc1cc(c[nH]c1=O)-c1ccncc1)c1ccccn1 |r|
Show InChI InChI=1S/C26H25N5O2/c1-18(22-9-5-6-12-28-22)30-23(15-19-7-3-2-4-8-19)26(33)31-24-16-21(17-29-25(24)32)20-10-13-27-14-11-20/h2-14,16-18,23,30H,15H2,1H3,(H,29,32)(H,31,33)/t18-,23-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in HEK293 cells assessed as inositol phosphate accumulation after 1 hr by scintillation counting


Bioorg Med Chem Lett 22: 6218-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.015
BindingDB Entry DOI: 10.7270/Q2CN751R
More data for this
Ligand-Target Pair