BDBM50522478 CHEMBL4453014

SMILES Cn1c(nc2ccccc12)C(=O)Nc1ccc(cc1)C(N)=N

InChI Key InChIKey=ZLCADWNTNSCYRR-UHFFFAOYSA-N

Data  4 IC50

  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 = 50522478   

TargetKallikrein-5(Human)
Glaxosmithkline R&D

Curated by ChEMBL
LigandPNGBDBM50522478(CHEMBL4453014)
Affinity DataIC50: 1.26E+4nMAssay Description:Inhibition of recombinant 6His-Q-FLAG tagged human KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetKallikrein-1(Human)
Glaxosmithkline R&D

Curated by ChEMBL
LigandPNGBDBM50522478(CHEMBL4453014)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of recombinant bovine enterokinase activated N-terminal His-tagged recombinant human KLK1 (19 to 262 residues) expressed in baculovirus in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetKallikrein-5(Human)
Glaxosmithkline R&D

Curated by ChEMBL
LigandPNGBDBM50522478(CHEMBL4453014)
Affinity DataIC50: 1.26E+4nMAssay 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
TargetKallikrein-1(Human)
Glaxosmithkline R&D

Curated by ChEMBL
LigandPNGBDBM50522478(CHEMBL4453014)
Affinity DataIC50: 2.00E+5nMAssay 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