BDBM50250645 CHEMBL4063125::US10961200, Compound 54::US11247971, Cmpd ID 54

SMILES NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1

InChI Key InChIKey=BWWQQSBRUHYWRF-UHFFFAOYSA-N

Data  8 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 7 hits for monomerid = 50250645   

TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250645(CHEMBL4063125 | US10961200, Compound 54 | US112479...)
Affinity DataIC50:  349nMAssay Description:Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase B chain(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250645(CHEMBL4063125 | US10961200, Compound 54 | US112479...)
Affinity DataIC50:  424nMAssay Description:Inhibition of human erythrocytes LDHB using sodium pyruvate as substrate after 5 mins in presence of NAPDH by diaphorase/resazurin based fluorescence...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250645(CHEMBL4063125 | US10961200, Compound 54 | US112479...)
Affinity DataIC50:  4.74E+4nMAssay Description:Inhibition of wild type IDH1 (unknown origin) using isocitrate as substrate preincubated for 30 mins followed by substrate addition in presence of NA...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250645(CHEMBL4063125 | US10961200, Compound 54 | US112479...)
Affinity DataIC50:  550nMAssay Description:Test compounds were placed in a Greiner Bio-One (Monroe, N.C.) 1536-well black solid bottom assay plate. 200 millimolar (mM) Tris HCl, pH 7.4, 100 mi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250645(CHEMBL4063125 | US10961200, Compound 54 | US112479...)
Affinity DataIC50:  2.68E+4nMAssay Description:Inhibition of LDH in human A673 cells assessed as reduction in lactate production preincubated for 2 hrs measured after 30 mins by high throughput fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250645(CHEMBL4063125 | US10961200, Compound 54 | US112479...)
Affinity DataIC50:  349nMAssay Description:Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and EDTA by diaphorase/resazurin based fluorescen...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center For Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250645(CHEMBL4063125 | US10961200, Compound 54 | US112479...)
Affinity DataIC50:  2.77E+4nMAssay Description:Stabilization of LDHA in human A673 cell lysate preincubated for 20 mins followed by incubation at 70 degreeC for 10 mins by cellular thermal shift a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed