BDBM50130746 CHEMBL3633385

SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1

InChI Key InChIKey=PXTMTAHWEKRYOZ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50130746   

TargetCarbonic anhydrase 2(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50130746(CHEMBL3633385)
Affinity DataKi:  5.5nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50130746(CHEMBL3633385)
Affinity DataKi:  6.70nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50130746(CHEMBL3633385)
Affinity DataKi:  7.80nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50130746(CHEMBL3633385)
Affinity DataKi:  91nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2016
Entry Details Article
PubMed