BDBM50228853 (S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide::(S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-1-((R)-2-(methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxamide::CHEMBL270437::RWJ-50353

SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1

InChI Key InChIKey=QRBIRSCLEVEODD-BDTNDASRSA-N

Data  4 KI  2 IC50

  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 6 hits for monomerid = 50228853   

TargetProthrombin(Homo sapiens (Human))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228853((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  0.190nMAssay 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
LigandPNGBDBM50228853((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  0.200nMAssay 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
LigandPNGBDBM50228853((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  0.200nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228853((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  3.10nMAssay 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
LigandPNGBDBM50228853((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  23nMAssay Description:Inhibitory activity against thrombin induced platelet aggregationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228853((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  32nMAssay Description:Compound was tested for inhibition of gel-filtered platelet (GFP) aggregation induced by alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed