BDBM50531895 CHEMBL4526462

SMILES CCOc1cccc(C(=O)Nc2ccc(cc2)C(N)=N)c1O

InChI Key InChIKey=OOGOBANMDCDQFM-UHFFFAOYSA-N

Data  2 IC50

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 = 50531895   

TargetKallikrein-1(Human)
Glaxosmithkline R&D

Curated by ChEMBL
LigandPNGBDBM50531895(CHEMBL4526462)
Affinity DataIC50: 126nMAssay Description:Inhibition of recombinant human N-terminal his-tagged KLK1 (19 to 262 residues) expressed in baculovirus infected sf9 insect cells using R110 labelle...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetKallikrein-5(Human)
Glaxosmithkline R&D

Curated by ChEMBL
LigandPNGBDBM50531895(CHEMBL4526462)
Affinity DataIC50: 5.01E+3nMAssay Description:Inhibition of recombinant human FLAG-tagged KLK5 expressed in baculovirus infected sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed