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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

  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...)copy SMILEScopy InChI
Affinity DataKi:  3.90nMAssay Description:Inhibition of bovine trypsinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24B3208PubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2PR7V46PubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataKi:  7nMAssay Description:Concentration of the compound required to inhibit Human alpha-thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20P0ZBKPubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Inhibition of human alpha-thrombin.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24B3208PubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataKi:  18nMAssay Description:Inhibition of human alpha-thrombinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21J9BNHPubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 23nMAssay Description:Inhibitory activity against thrombin induced platelet aggregationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24B3208PubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 230nMAssay Description:In vitro activity against plasmid was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FQ9VPMPubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2FQ9VPMPubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:In vitro activity against thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FQ9VPMPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 8nMAssay Description:In vitro activity against trypsin was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FQ9VPMPubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2FF3RH3PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 0.0450nMAssay Description:Concentration of the compound required to inhibit Trypsin was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20P0ZBKPubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Concentration of the compound required to inhibit Plasmin was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20P0ZBKPubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q20P0ZBKPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 16nMAssay Description:Concentration of the compound required to inhibit Coagulation factor X was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20P0ZBKPubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2MP53T0PubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:In vitro inhibitory activity against hydrolysis of human alpha thrombinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GX4C3PPubMed
TargetCoagulation factor X(Bos taurus)
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 7.60E+3nMAssay Description:In vitro Enzyme Inhibitory activity measured against Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RB73MVPubMed
TargetProthrombin(Bos taurus (Bovine))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 8.90nMAssay Description:In vitro Enzyme Inhibitory activity measured against ThrombinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RB73MVPubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2RB73MVPubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 670nMAssay Description:In vitro Enzyme Inhibitory activity measured against PlasminMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RB73MVPubMed
TargetProthrombin(Homo sapiens (Human))
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228863((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...)copy SMILEScopy InChI
Affinity DataIC50: 0.0300nMAssay Description:Concentration of the compound required to inhibit thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20P0ZBKPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:In vitro Enzyme Inhibitory activity measured against TrypsinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RB73MVPubMed