BDBM50228863 (S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-1-formyl-4-guanidino-butyl)-amide::1-(2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (1-formyl-4-guanidino-butyl)-amide::5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]-1-[2-methylamino-3-phenyl-(2R)-propanoyl]-(5S)-dihydro-1H-5-pyrrolecarboxamide::CHEMBL273196::Me-(D-Phe)-Pro-Arg-CHO

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

InChI Key InChIKey=KAGLWQUWUNBAOO-KSZLIROESA-N

Data  5 KI  18 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 23 hits for monomerid = 50228863   

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

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  3.90nMAssay Description:Inhibition of bovine trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  5.5nMAssay Description:Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  7nMAssay Description:Concentration of the compound required to inhibit Human alpha-thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  10nMAssay Description:Inhibition of human alpha-thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataKi:  18nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((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
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  230nMAssay Description:In vitro activity against plasmid was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  4.00E+3nMAssay Description:In vitro activity of the compound against Factor Xa was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  8nMAssay Description:In vitro activity against thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  8nMAssay Description:In vitro activity against trypsin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  46nMAssay Description:Compound was evaluated for the inhibition of thrombin using the synthetic substrate chromozym THMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  0.0450nMAssay Description:Concentration of the compound required to inhibit Trypsin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  25nMAssay Description:Concentration of the compound required to inhibit Plasmin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  34nMAssay Description:Concentration of the compound required to inhibit Tissue-type plasminogen activator (t-PA) was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  16nMAssay Description:Concentration of the compound required to inhibit Coagulation factor X was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  18nMAssay Description:In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rt after 3 min incubation with compoundMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  18nMAssay Description:In vitro inhibitory activity against hydrolysis of human alpha thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Bos taurus)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  7.60E+3nMAssay Description:In vitro Enzyme Inhibitory activity measured against Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Bos taurus (Bovine))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  8.90nMAssay Description:In vitro Enzyme Inhibitory activity measured against ThrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  2.10E+4nMAssay Description:In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  670nMAssay Description:In vitro Enzyme Inhibitory activity measured against PlasminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  0.0300nMAssay Description:Concentration of the compound required to inhibit thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)
Affinity DataIC50:  13nMAssay Description:In vitro Enzyme Inhibitory activity measured against TrypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed