Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 461.5 BDBM50110010

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
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50110010 (CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of plasminogen activator urokinase.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50110010 (CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50110010 (CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor Xa.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50110010 (CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of thrombin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50110010 (CHEMBL415741 | N-[(4-Carbamimidoyl-benzylcarbamoyl...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-20(23)17-8-6-16(7-9-17)12-24-19(28)13-25-21(29)18(14-27)26-32(30,31)11-10-15-4-2-1-3-5-15/h1-9,18,26-27H,10-14H2,(H3,22,23)(H,24,28)(H,25,29)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of Plasmin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
					More data for this Ligand-Target Pair