BDBM50588994 CHEMBL5177553

SMILES COc1cc(ccc1N(C)C)C1CC(=NN1C(N)=S)c1ccc(O)cc1

InChI Key InChIKey=LHJNHIKNSZYEFA-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 = 50588994   

TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588994(CHEMBL5177553)
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
LigandPNGBDBM50588994(CHEMBL5177553)
Affinity DataKi:  12nMAssay 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
LigandPNGBDBM50588994(CHEMBL5177553)
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
TargetCarbonic anhydrase 2(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588994(CHEMBL5177553)
Affinity DataKi:  41nMAssay 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