BDBM50052417 (S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzooxazole-2-carbonyl)-4-guanidino-butyl]-amide::(S)-N-((S)-1-(benzo[d]oxazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-1-((R)-2-(methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxamide::CHEMBL105584

SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2o1

InChI Key InChIKey=DSRYOPYBUYZKDD-BDTNDASRSA-N

Data  4 KI

  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 = 50052417   

TargetSerine protease 1(Bos taurus (bovine))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50052417((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  2.90nMAssay Description:Inhibition of bovine trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50052417((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  3.80nMAssay Description:Inhibition of human alpha-thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50052417((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  6.20nMAssay Description:Binding affinity to human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50052417((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  6.20nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed