BDBM50097287 CHEMBL432083::Zinc{{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid::{{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid::{{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid; compound with Cu complex::{{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid;compound with Al complex::{{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid;compound with Zn complex

SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)CC(O)=O)s1

InChI Key InChIKey=ABKUNMXQTDTBPW-UHFFFAOYSA-N

Data  7 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50097287   

TargetCarbonic anhydrase 2(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50097287({{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl...)
Affinity DataKi:  1nMAssay Description:Inhibition of cloned isozyme, human carbonic anhydrase IIMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Ecole Nationale Sup£Rieure De Chimie De Montpellier

Curated by ChEMBL
LigandPNGBDBM50097287({{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl...)
Affinity DataKi:  2.80nMAssay Description:Inhibition of human recombinant CA12 by CO2 hydration stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50097287({{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl...)
Affinity DataKi:  7nMAssay Description:Inhibition of cloned isozyme, human carbonic anhydrase IVMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Ecole Nationale Sup£Rieure De Chimie De Montpellier

Curated by ChEMBL
LigandPNGBDBM50097287({{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl...)
Affinity DataKi:  8.30nMAssay Description:Inhibition of human recombinant CA9 by CO2 hydration stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50097287({{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl...)
Affinity DataKi:  13.4nMAssay Description:Inhibition of human recombinant CA2 by CO2 hydration stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50097287({{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl...)
Affinity DataKi:  50nMAssay Description:Inhibition of cloned isozyme, human carbonic anhydrase IMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Florence

Curated by ChEMBL
LigandPNGBDBM50097287({{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl...)
Affinity DataKi:  487nMAssay Description:Inhibition of human recombinant CA1 by CO2 hydration stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed