BDBM50504758 CHEMBL4578451

SMILES C\C(=N/NC(=O)c1nc(N)n(n1)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCOCC1

InChI Key InChIKey=RECXJFPRZAJTIQ-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 = 50504758   

TargetCarbonic anhydrase 12(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504758(CHEMBL4578451)
Affinity DataKi:  9.90nMAssay Description:Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504758(CHEMBL4578451)
Affinity DataKi:  32nMAssay Description:Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504758(CHEMBL4578451)
Affinity DataKi:  54nMAssay Description:Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM50504758(CHEMBL4578451)
Affinity DataKi:  793nMAssay Description:Inhibition of recombinant human carbonic anhydrase-1 incubated for 15 mins by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed