BDBM50570982 CHEMBL4849196

SMILES COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F

InChI Key InChIKey=IERDXPUHGSILLC-UHFFFAOYSA-N

Data  7 KI  7 IC50

  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 = 50570982   

TargetCarbonic anhydrase 1(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataIC50: 3.90nMAssay Description:Inhibition of human CA1 by stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of human CA2 by stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of human CA1 by spectrophotometer based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human CA2 by spectrophotometer based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of human CA1More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataIC50: 6.40nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataKi:  3.30nMAssay Description:Binding affinity to human CA1 assessed as inhibition constant by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human CA1More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataKi:  3.30nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human CA1 by stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataKi:  4.30nMAssay Description:Binding affinity to human CA2 assessed as inhibition constant by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataKi:  4.30nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Georgia State University

Curated by ChEMBL
LigandPNGBDBM50570982(CHEMBL4849196)
Affinity DataKi:  5.10nMAssay Description:Inhibition of human CA2 by stopped-flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed