null

SMILES Cc1ccc(s1)C#Cc1cccc(c1)-c1nn(c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O)-c1nc(cs1)C(O)=O

InChI Key

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50547002   

TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))TBA
LigandPNGBDBM50547002(CHEMBL4753379 | US11247971, Cmpd ID 449 | US117521...)copy SMILES
Affinity DataIC50: 119nMAssay 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))TBA
LigandPNGBDBM50547002(CHEMBL4753379 | US11247971, Cmpd ID 449 | US117521...)copy SMILES
Affinity DataKd:  0.0634nMAssay Description:Binding affinity to human His-tagged LDHA by SPR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetL-lactate dehydrogenase B chain(Homo sapiens (Human))TBA
LigandPNGBDBM50547002(CHEMBL4753379 | US11247971, Cmpd ID 449 | US117521...)copy SMILES
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2G73JVB
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))TBA
LigandPNGBDBM50547002(CHEMBL4753379 | US11247971, Cmpd ID 449 | US117521...)copy SMILES
Affinity DataIC50: 760nMAssay 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
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))TBA
LigandPNGBDBM50547002(CHEMBL4753379 | US11247971, Cmpd ID 449 | US117521...)copy SMILES
Affinity DataIC50: 367nMAssay 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))TBA
LigandPNGBDBM50547002(CHEMBL4753379 | US11247971, Cmpd ID 449 | US117521...)copy SMILES
Affinity DataIC50: 40nMAssay 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