BDBM50066766 (3R,6R,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid (3-guanidino-propyl)-amide; TFA::CHEMBL120842

SMILES NC(=N)NCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N12

InChI Key InChIKey=SOIIHESTBYNJRH-PMPSAXMXSA-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 = 50066766   

TargetProthrombin(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50066766((3R,6R,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...)
Affinity DataKi:  145nMAssay Description:Invitro inhibition was measured against Human Thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50066766((3R,6R,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...)
Affinity DataKi:  5.10E+3nMAssay Description:Invitro inhibition was measured against Human bovine pancreatic trypsin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50066766((3R,6R,8aS)-5-Oxo-6-phenylmethanesulfonylamino-hex...)
Affinity DataKi:  2.60E+4nMAssay Description:Invitro inhibition was measured against Human Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed