BDBM50546973 CHEMBL4782843::US11247971, Cmpd ID 258

SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2ccc(F)c(c2)C#CC2CCCC2)-c2nc(cs2)C(O)=O)cc1F

InChI Key InChIKey=KTCLNOGFWLXRFB-UHFFFAOYSA-N

Data  4 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50546973   

TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50546973(CHEMBL4782843 | US11247971, Cmpd ID 258)
Affinity DataKd:  0.0193nMAssay Description:Binding affinity to human His-tagged LDHA by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50546973(CHEMBL4782843 | US11247971, Cmpd ID 258)
Affinity DataIC50:  22nMAssay 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
Ligand InfoPC cidPC sidPDB
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50546973(CHEMBL4782843 | US11247971, Cmpd ID 258)
Affinity DataIC50:  112nMAssay Description:Inhibition of GS[HiBiT]GS-tagged LDHA (unknown origin) expressed in HEK-293T cells measured after 1 hr by CESTAMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50546973(CHEMBL4782843 | US11247971, Cmpd ID 258)
Affinity DataIC50:  333nMAssay Description:Inhibition of LDHA in human MIA PaCa-2 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Institutes Of Health

Curated by ChEMBL
LigandPNGBDBM50546973(CHEMBL4782843 | US11247971, Cmpd ID 258)
Affinity DataIC50:  509nMAssay Description:Inhibition of LDHA in human A673 cells assessed as decrease in lactate production incubated for 2 hrs by lactate oxidase-coupled fluorescence based a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB