BDBM11995 2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid::Interchim compound 57

SMILES Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O

InChI Key InChIKey=ZKMKAGTWPRBWAK-UHFFFAOYSA-N

Data  1 KI  3 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 3 hits for monomerid = 11995   

TargetPyruvate kinase PKM(Human)
Beth Israel Deaconess Medical Center

US Patent
LigandPNGBDBM11995(2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...)
Affinity DataIC50: 1.00E+5nMAssay Description:Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2015
Entry Details
Go to US Patent

TargetTyrosyl-DNA phosphodiesterase 1(Human)
Siberian Branch of The Russian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM11995(2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...)
Affinity DataIC50: 110nMAssay Description:Inhibition of Tdp1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetLethal factor(Bacillus anthracis)
Montana State University

LigandPNGBDBM11995(2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...)
Affinity DataKi:  5.60E+3nM ΔG°:  -7.21kcal/mole IC50: 6.80E+3nMpH: 7.2 T: 2°CAssay Description:For selected lead compounds from fluorescence-based high-throughput screening, the concentrations of inhibitor that caused 50% inhibition of enzymati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2006
Entry Details Article
PubMed