BDBM104914 CHEMBL507322::US8569313, Inhibitor 26

SMILES: NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=GVKGOJSGHMSOHB-MHZLTWQESA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 104914   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM104914 (CHEMBL507322 | US8569313, Inhibitor 26) Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Medicines Company (Leipzig) GmbH US Patent					Assay Description Inhibition assay using matriptase enzyme				US Patent US8569313 (2013) BindingDB Entry DOI: 10.7270/Q2639ND5
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM104914 (CHEMBL507322 | US8569313, Inhibitor 26) Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	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 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
Plasminogen (Homo sapiens (Human))	BDBM104914 (CHEMBL507322 | US8569313, Inhibitor 26) Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/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	1.30E+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 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
Prothrombin (Homo sapiens (Human))	BDBM104914 (CHEMBL507322 | US8569313, Inhibitor 26) Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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 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
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM104914 (CHEMBL507322 | US8569313, Inhibitor 26) Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+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 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))	BDBM104914 (CHEMBL507322 | US8569313, Inhibitor 26) Show SMILES NCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H37N7O6S/c32-13-12-28(39)35-25-10-5-11-26(20-25)45(42,43)36-27(19-23-8-4-9-24(18-23)29(33)34)30(40)37-14-16-38(17-15-37)31(41)44-21-22-6-2-1-3-7-22/h1-11,18,20,27,36H,12-17,19,21,32H2,(H3,33,34)(H,35,39)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+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 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