BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.4
BDBM50544794

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))
BDBM50544794
PNG
(CHEMBL4633342)
Show SMILES CN([C@@H]1CCC[C@@H](C1)C(=O)Nc1c(C)ncn1CC#N)C(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F3N5O2/c1-14-19(30(10-9-26)13-27-14)28-20(31)15-5-4-8-18(12-15)29(2)21(32)16-6-3-7-17(11-16)22(23,24)25/h3,6-7,11,13,15,18H,4-5,8,10,12H2,1-2H3,(H,28,31)/t15-,18+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 93n/an/an/an/a



Lilly China Research and Development Center (LCRDC)

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 receptor expressed in HEK293 cells assessed as accumulation of inositol phosphate incubated for 1 hr followed by IP1...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126857
BindingDB Entry DOI: 10.7270/Q2154MMP
More data for this
Ligand-Target Pair