BDBM50588993 CHEMBL5199726

SMILES COc1ccc(cc1OC)C1CC(=NN1C(N)=S)c1ccc(N)cc1

InChI Key InChIKey=QEMRSHYRUGCKNE-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 = 50588993   

TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588993(CHEMBL5199726)
Affinity DataKi:  5.10nMAssay Description:Inhibition of human CA1More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588993(CHEMBL5199726)
Affinity DataKi:  5.10nMAssay Description:Binding affinity to human CA1 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588993(CHEMBL5199726)
Affinity DataKi:  12nMAssay Description:Binding affinity to human CA2 assessed as inhibition constant using 4-nitrophenylacetate as substrate by spectrophotometrical analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588993(CHEMBL5199726)
Affinity DataKi:  12nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMed