null

SMILES NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(c2)-c2ccccc2)-c2nc(cs2)C(O)=O)cc1

InChI Key InChIKey=ALJORCZKMBZYCR-UHFFFAOYSA-N

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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50250656   

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

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay 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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 2.98E+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 Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase B chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 27nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataEC50:  170nMAssay 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
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataKd:  0.110nMAssay Description:Binding affinity to human His-tagged LDHA in presence of NADH by SPR assayMore data for this Ligand-Target Pair
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 517nMAssay 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
TargetL-lactate dehydrogenase A chain(Mus musculus (Mouse))TBA
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 0.100nMAssay Description:Inhibition of recombinant mouse LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...More data for this Ligand-Target Pair
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay 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
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataKd:  0.110nMAssay Description:Binding affinity to human His-tagged LDHA by SPR analysisMore data for this Ligand-Target Pair
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 24nMAssay 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
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 450nMAssay 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
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 636nMAssay 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
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibition of recombinant human LDHA expressed in BL21 gold (DE3) using sodium pyruvate as substrate preincubated for 10 mins followed by sodium pyru...More data for this Ligand-Target Pair
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50250656(CHEMBL4081890 | US11247971, Cmpd ID 276)copy SMILEScopy InChI
Affinity DataIC50: 854nMAssay Description:Inhibition of LDH in human MIAPaCa2 cells assessed as reduction in lactate production preincubated for 2 hrs measured after 30 mins by high throughpu...More data for this Ligand-Target Pair