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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.4
BDBM50096603

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 174


(Homo sapiens (Human))
BDBM50096603
PNG
(CHEMBL3577166)
Show SMILES CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C19H38NO9P/c1-3-4-5-6-7-8-9-10-11-12-17(22)27-13-16(21)14-28-30(25,26)29-15(2)18(20)19(23)24/h15-16,18,21H,3-14,20H2,1-2H3,(H,23,24)(H,25,26)/t15-,16+,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

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



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair