BDBM50504235 CHEMBL4437653

SMILES NS(=O)(=O)c1ccc(-n2nnc(-c3nnc(SCC(=O)c4ccc([N+](=O)[O-])cc4)[nH]3)c2-c2ccccc2)cc1

InChI Key InChIKey=OEJCXCPFCKRVSJ-UHFFFAOYSA-N

Data  4 KI

  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 = 50504235   

TargetCarbonic anhydrase 4(Human)
Kurukshetra University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50504235BDBM50504235(CHEMBL4437653)
Affinity DataKi:  42nMAssay Description:Inhibition of human carbonic anhydrase 4 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Kurukshetra University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50504235BDBM50504235(CHEMBL4437653)
Affinity DataKi:  204nMAssay Description:Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Kurukshetra University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50504235BDBM50504235(CHEMBL4437653)
Affinity DataKi:  525nMAssay Description:Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Kurukshetra University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50504235BDBM50504235(CHEMBL4437653)
Affinity DataKi:  4.16E+3nMAssay Description:Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration incubated for 1 hr by phenol red staining-based stopped flow assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed