BDBM50067527 3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-benzenesulfonylamino)-acetylamino]-propionic acid ethyl ester::CHEMBL137311

SMILES: CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S

InChI Key: InChIKey=XUBBHZIMNINHAR-UHFFFAOYSA-N

Data: 8 KI  1 IC50

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 9 hits for monomerid = 50067527   

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
Thrombin (Bos taurus (Bovine))	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against Thrombin.				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against Coagulation factor X				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Trypsin II (Bos taurus)	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	UniProtKB/SwissProt 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
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against Trypsin.				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against plasma kallikrein				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against Plasmin.				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against microPa.				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against the anticoagulant Activated protein C				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Tryptase (Homo sapiens (Human))	BDBM50067527 (3-(4-Carbamimidoyl-phenyl)-2-[2-(4-thiocarbamoyl-b...) Show SMILES CCOC(=O)C(Cc1ccc(cc1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(cc1)C(N)=S Show InChI InChI=1S/C21H25N5O5S2/c1-2-31-21(28)17(11-13-3-5-14(6-4-13)19(22)23)26-18(27)12-25-33(29,30)16-9-7-15(8-10-16)20(24)32/h3-10,17,25H,2,11-12H2,1H3,(H3,22,23)(H2,24,32)(H,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against Tryptase.				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair