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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.4
BDBM50544809

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))
BDBM50544809
PNG
(CHEMBL4632719)
Show SMILES CN([C@@H]1CCO[C@@H](C1)c1nnc([nH]1)-c1cnc2COCCn12)C(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H23F3N6O3/c1-30(21(32)13-3-2-4-14(9-13)22(23,24)25)15-5-7-34-17(10-15)20-27-19(28-29-20)16-11-26-18-12-33-8-6-31(16)18/h2-4,9,11,15,17H,5-8,10,12H2,1H3,(H,27,28,29)/t15-,17+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 102n/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