BDBM50278193 3-(pyridin-3-yl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one::CHEMBL509932::WR-289013

SMILES COc1ccc(C(=O)\C=C\c2cccnc2)c(OC)c1OC

InChI Key InChIKey=QNSVIKWLSFHHDS-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50278193   

TargetCytochrome P450 1B1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50278193(WR-289013 | 3-(pyridin-3-yl)-1-(2,3,4-trimethoxyph...)
Affinity DataIC50: 137nMAssay Description:Inhibition of human liver CYP1B1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50278193(WR-289013 | 3-(pyridin-3-yl)-1-(2,3,4-trimethoxyph...)
Affinity DataIC50: 176nMAssay Description:Inhibition of human liver CYP1A2 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using CEC as substrate after 10 mins by fluorescence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50278193(WR-289013 | 3-(pyridin-3-yl)-1-(2,3,4-trimethoxyph...)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of human liver CYP1A1 expressed in Saccharomyces cerevisiae YY7 microsomal membranes using 7-ethoxyresorufin as substrate after 10 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMed
TargetMO15-related protein kinase Pfmrk(malaria parasite P. falciparum)
Institute of Research

Curated by ChEMBL
LigandPNGBDBM50278193(WR-289013 | 3-(pyridin-3-yl)-1-(2,3,4-trimethoxyph...)
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of His6x-tagged Plasmodium falciparum Pfmrk expressed in Escherichia coli by microtiter plate scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed