BDBM50344553 2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-enyl)phenyl-4-sulfamoylbenzoate::CHEMBL1778433

SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(N)(=O)=O

InChI Key InChIKey=WGWRQZCFJUOFIR-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50344553   

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

Curated by ChEMBL
LigandPNGBDBM50344553(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)
Affinity DataKi:  10nMAssay 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
PubMed
TargetCarbonic anhydrase 9(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344553(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)
Affinity DataKi:  11nMAssay 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
TargetCarbonic anhydrase 1(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344553(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)
Affinity DataKi:  15nMAssay 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 12(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344553(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)
Affinity DataKi:  19nMAssay 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 4(Human)
U.O. Oculistica Az. Usl 3

Curated by ChEMBL
LigandPNGBDBM50344553(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)
Affinity DataKi:  47nMAssay 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