BDBM50240925 CHEMBL4061548

SMILES COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O

InChI Key InChIKey=HCADMEQVRWTPEA-UHFFFAOYSA-N

Data  3 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50240925   

TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50240925(CHEMBL4061548)
Affinity DataKd:  5.07E+4nMAssay Description:Binding affinity to human carbonic anhydrase 2 at +9, +10 and +11 charge states for protein to compound complex after 10 mins by nanoESI-MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50240925(CHEMBL4061548)
Affinity DataKd:  6.55E+4nMAssay Description:Binding affinity to human carbonic anhydrase 2 by surface plasmon resonance spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50240925(CHEMBL4061548)
Affinity DataKd:  4.36E+4nMAssay Description:Binding affinity to human carbonic anhydrase 2 at +10 charge state for protein to compound complex after 10 mins by nanoESI-MS methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)