BDBM50588909 CHEMBL5175826

SMILES COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O

InChI Key InChIKey=VMHLNIJHJPIPKG-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50588909   

TargetCarbonic anhydrase 9(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588909(CHEMBL5175826)
Affinity DataKi:  3.10E+3nMAssay Description:Binding affinity to human recombinant CA9 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
Isf College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50588909(CHEMBL5175826)
Affinity DataKi: >1.00E+5nMAssay Description:Binding affinity to human recombinant CA1 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed