SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.5
BDBM50228863

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 23 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine protease 1 (Bos taurus (bovine))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine trypsin				J Med Chem 39: 3039-43 (1996) Article DOI: 10.1021/jm9603274 BindingDB Entry DOI: 10.7270/Q24B3208
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition				Bioorg Med Chem Lett 9: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V46
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Human alpha-thrombin was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin.				J Med Chem 39: 3039-43 (1996) Article DOI: 10.1021/jm9603274 BindingDB Entry DOI: 10.7270/Q24B3208
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit thrombin was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Trypsin was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against trypsin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Thrombin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Coagulation factor X was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of thrombin catalytic activity using s-2238 substrate at 10 uM was measured at rt after 3 min incubation with compound				Bioorg Med Chem Lett 12: 41-4 (2001) BindingDB Entry DOI: 10.7270/Q2MP53T0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against thrombin induced platelet aggregation				J Med Chem 39: 3039-43 (1996) Article DOI: 10.1021/jm9603274 BindingDB Entry DOI: 10.7270/Q24B3208
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Plasmin was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Tissue-type plasminogen activator (t-PA) was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of thrombin using the synthetic substrate chromozym TH				Bioorg Med Chem Lett 8: 1249-54 (1999) BindingDB Entry DOI: 10.7270/Q2FF3RH3
Menarini Ricerche S.p.A. Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against plasmid was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Plasmin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity of the compound against Factor Xa was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Coagulation factor X				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator).				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair