BDBM50511168 CHEMBL4465587

SMILES c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N

InChI Key InChIKey=DPXLHPWLQSWEQB-UHFFFAOYSA-N

Data  1 KI  2 Kd

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50511168   

TargetSerine protease 1(Bovine)
Philipps-University Marburg

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50511168BDBM50511168(CHEMBL4465587)
Affinity DataKd:  757nMAssay Description:Displacement of (S)-1-((R)-2-amino-3-phenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide from bovine beta-trypsin in phosphate/HEPES/...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 50511168BDBM50511168(CHEMBL4465587)
Affinity DataKi:  1.21E+3nMAssay 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 50511168BDBM50511168(CHEMBL4465587)
Affinity DataKd:  3.68E+3nMAssay 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)