Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.6 BDBM50257762

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

Found 5 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	koff s-1	kon M-1s-1	pH	Temp °C
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM50257762 ((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...) Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH Curated by ChEMBL					Assay Description Inhibition of matriptase (unknown origin)				Bioorg Med Chem Lett 19: 1960-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.047 BindingDB Entry DOI: 10.7270/Q2J96681
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50257762 ((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...) Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Bioorg Med Chem Lett 19: 1960-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.047 BindingDB Entry DOI: 10.7270/Q2J96681
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50257762 ((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...) Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH Curated by ChEMBL					Assay Description Inhibition of plasmin (unknown origin)				Bioorg Med Chem Lett 19: 1960-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.047 BindingDB Entry DOI: 10.7270/Q2J96681
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50257762 ((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...) Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH Curated by ChEMBL					Assay Description Inhibition of uPA (unknown origin)				Bioorg Med Chem Lett 19: 1960-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.047 BindingDB Entry DOI: 10.7270/Q2J96681
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50257762 ((S)-methyl 1-((S)-2-(3-(3-aminopropanamido)phenyls...) Show SMILES COC(=O)[C@@H]1CCCCN1C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-38-26(35)22-10-2-3-13-32(22)25(34)21(15-17-6-4-7-18(14-17)24(28)29)31-39(36,37)20-9-5-8-19(16-20)30-23(33)11-12-27/h4-9,14,16,21-22,31H,2-3,10-13,15,27H2,1H3,(H3,28,29)(H,30,33)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				Bioorg Med Chem Lett 19: 1960-5 (2009) Article DOI: 10.1016/j.bmcl.2009.02.047 BindingDB Entry DOI: 10.7270/Q2J96681
					More data for this Ligand-Target Pair