BDBM50298204 6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfamoyl-1,3,4-thiadiazol-2-ylamino)butanamido)hexanoic acid::CHEMBL561947

SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NC(CCCCNC(=O)CCCc2ccc(I)cc2)C(O)=O)s1

InChI Key InChIKey=MKYCTEHAGZSEMR-UHFFFAOYSA-N

Data  2 KI  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50298204   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Institute Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50298204(6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...)
Affinity DataKi:  8.80nMAssay Description:Inhibition of human CA9 catalytic domain using 4-nitrophenylacetate substrate in presence of murine serum albumin by colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Institute Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50298204(6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...)
Affinity DataKi:  18nMAssay Description:Inhibition of human CA9 catalytic domain using 4-nitrophenylacetate substrate by colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Institute Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50298204(6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...)
Affinity DataKd:  3.20nMAssay Description:Binding affinity to human CA9 catalytic domain by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Institute Of Pharmaceutical Sciences

Curated by ChEMBL
LigandPNGBDBM50298204(6-(4-(4-iodophenyl)butanamido)-2-(4-oxo-4-(5-sulfa...)
Affinity DataKd:  820nMAssay Description:Binding affinity to HSA by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed