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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.4
BDBM50544792

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))
BDBM50544792
PNG
(CHEMBL4646115)
Show SMILES CN([C@@H]1CCC[C@@H](C1)C(=O)Nc1c(C)ncn1CC(F)F)C(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H25F5N4O2/c1-13-19(31(12-28-13)11-18(23)24)29-20(32)14-5-4-8-17(10-14)30(2)21(33)15-6-3-7-16(9-15)22(25,26)27/h3,6-7,9,12,14,17-18H,4-5,8,10-11H2,1-2H3,(H,29,32)/t14-,17+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 63n/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