BDBM50511166 CHEMBL4513436

SMILES c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N

InChI Key InChIKey=IWAABGNHPAYUJJ-UHFFFAOYSA-N

Data  1 KI  2 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 50511166   

TargetSerine protease 1(Bovine)
Philipps-University Marburg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50511166BDBM50511166(CHEMBL4513436)
Affinity DataKd:  43nMAssay Description:Binding affinity to bovine beta-trypsin in phosphate/HEPES/Tricine/Tris buffer by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
Philipps-University Marburg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50511166BDBM50511166(CHEMBL4513436)
Affinity DataKi:  140nMAssay Description:Inhibition of human alpha-thrombin using varying levels of Tos-Gly-Pro-Arg-AMC-TFA as substrate by fluorescence based Michaelis-Menten equation analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
Philipps-University Marburg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50511166BDBM50511166(CHEMBL4513436)
Affinity DataKd:  400nMAssay Description:Binding affinity to human alpha-thrombin in phosphate/HEPES/Tricine/Tris buffer by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)