BDBM50344554 4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl)benzoate::4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate::CHEMBL1738778

SMILES c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-]

InChI Key InChIKey=QCXYDHYYUCXOLH-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50344554   

TargetCarbonic anhydrase 2(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344554(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)
Affinity DataKi:  28nMAssay Description:Inhibition of human CA2 by CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 12(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344554(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)
Affinity DataKi:  31nMAssay Description:Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344554(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)
Affinity DataKi:  40nMAssay Description:Inhibition of human CA1 by CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344554(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)
Affinity DataKi:  154nMAssay Description:Inhibition of human CA4 by CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344554(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)
Affinity DataKi:  235nMAssay Description:Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed