BDBM50308961 4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-ylthio)acetamido)benzoic acid::CHEMBL591743

SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nc2nc3CCCCc3cc2c1=O

InChI Key InChIKey=VUOTYLYHWXXTFU-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50308961   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Human)
The University of Memphis

Curated by ChEMBL
LigandPNGBDBM50308961(4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of autotaxin-mediated FS3 hydrolysis in human MDA-MB-435 cells by amplex red protocolMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Human)
The University of Memphis

Curated by ChEMBL
LigandPNGBDBM50308961(4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[...)
Affinity DataKi:  6.50E+3nMAssay Description:Noncompetitive inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menten analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Human)
The University of Memphis

Curated by ChEMBL
LigandPNGBDBM50308961(4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[...)
Affinity DataKi:  9.30E+3nMAssay Description:Noncompetitive inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menten analysis for enzyme-substrate complexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed