BDBM50307869 (S)-N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide hydrochloride::CHEMBL597201

SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)cc1

InChI Key InChIKey=RNZKCCPFUWHBFY-IBGZPJMESA-N

Data  3 KI

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 3 hits for monomerid = 50307869   

TargetProthrombin(Human)
The State University of New York

Curated by ChEMBL
LigandPNGBDBM50307869((S)-N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl...)
Affinity DataKi:  220nMAssay Description:Inhibition of human alpha-thrombin using tPa (CH3SO2-D-Cha-Gly-Arg-pNA.AcOH) as chromogenic substrate by kinetic photometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProthrombin(Human)
The State University of New York

Curated by ChEMBL
LigandPNGBDBM50307869((S)-N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl...)
Affinity DataKi:  720nMAssay Description:Inhibition of thrombin (unknown origin) using CH3SO2-D-Cha-Gly-Arg-pNA.AcOH as substrate measured every 20 sec for 30 mins in presence of NaCl by UV-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetProthrombin(Human)
The State University of New York

Curated by ChEMBL
LigandPNGBDBM50307869((S)-N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl...)
Affinity DataKi:  750nMAssay Description:Binding affinity to human thrombin by standard kinetic photometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)