null

SMILES COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1

InChI Key InChIKey=RZBCPMYJIARMGV-UHFFFAOYSA-N

  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 14 hits for monomerid = 50103568   

TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataKi:  4.80nMAssay Description:Inhibition of LDHA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4XV9PubMed
TargetL-lactate dehydrogenase B chain(Homo sapiens (Human))
National Cancer Institute-CRO

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 43nMAssay Description:Competitive inhibition of human LDH1 in presence of NADHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B27X41PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 2.60nMAssay Description:Competitive inhibition of human LDH5 in presence of NADHMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B27X41PubMed
TargetL-lactate dehydrogenase B chain(Homo sapiens (Human))
National Cancer Institute-CRO

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 1.15E+3nMAssay 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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
National Center for Advancing Translational Sciences

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+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 A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 2.60nMAssay Description:Competitive inhibition of recombinant human LDHA in the presence of NADH by resazurin dye reduction methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V128MVPubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 1.45E+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 Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 1.26E+4nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataKd:  1.70nMAssay Description:Binding affinity to human His-tagged LDHA in absence of NADH by SPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataEC50:  8.18E+3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataIC50: 2.60nMAssay Description:Inhibition of LDHA (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25Q4XV9PubMed
TargetL-lactate dehydrogenase A chain(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50103568(CHEMBL3335794)copy SMILEScopy InChI
Affinity DataKd:  59nMAssay Description:Binding affinity to human His-tagged LDHA in presence of NADH by SPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5J28PubMed