BDBM50568415 CHEMBL4869644

SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(s1)[N+]([O-])=O

InChI Key InChIKey=YURDMJLUHPHUMG-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50568415   

TargetCarbonic anhydrase 2(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50568415(CHEMBL4869644)
Affinity DataKi:  4.40nMAssay Description:Inhibition of recombinant human CA2 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50568415(CHEMBL4869644)
Affinity DataKi:  9nMAssay Description:Inhibition of full length human CA12 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50568415(CHEMBL4869644)
Affinity DataKi:  13nMAssay Description:Inhibition of recombinant human CA1 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50568415(CHEMBL4869644)
Affinity DataKi:  58nMAssay Description:Inhibition of recombinant human CA7 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50568415(CHEMBL4869644)
Affinity DataKi:  171nMAssay Description:Inhibition of full length human CA9 incubated for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed