BDBM489160 2-(3-(3-(tert- butylcarbamoyl)-4- fluorophenyl)-5- (cyclopropylmethyl)- 4-(3-fluoro-4- sulfamoylbenzyl)- 1H-pyrazol-1- yl)thiazole-4-carboxylic acid::US10961200, Compound 543::US11247971, Cmpd ID 543::US11752138, Compound 147

SMILES CC(C)(C)NC(=O)c1cc(ccc1F)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O

InChI Key InChIKey=KWSZFGQAKJYXKP-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 489160   

TargetL-lactate dehydrogenase A chain(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM489160(US10961200, Compound 543 | 2-(3-(3-(tert- butylcar...)
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human LDHA using sodium pyruvate as substrate preincubated for 5 mins followed by diaphorase/resazurin addition and measure...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetL-lactate dehydrogenase B chain(Human)
Vanderbilt University

US Patent
LigandPNGBDBM489160(US10961200, Compound 543 | 2-(3-(3-(tert- butylcar...)
Affinity DataIC50: 100nMAssay Description:This example describes a human LDHB biochemical assay employed in the characterization of a compound of Formula I in an embodiment of the dislcosure....More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2023
Entry Details
US Patent

TargetL-lactate dehydrogenase A chain(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM489160(US10961200, Compound 543 | 2-(3-(3-(tert- butylcar...)
Affinity DataIC50: 100nMAssay 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 Depth
Date in BDB:
10/4/2021
Entry Details
US Patent

TargetL-lactate dehydrogenase A chain(Human)
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM489160(US10961200, Compound 543 | 2-(3-(3-(tert- butylcar...)
Affinity DataIC50: 1.17E+4nMAssay Description:Inhibition of LDHA in human MIA PaCa2 cells assessed as reduction in lactate production incubated for 2 hrs by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed