BDBM50070595 2-Chloro-benzenesulfonic acid 3-(5-guanidino-pentyloxy)-5-methyl-phenyl ester::CHEMBL287910

SMILES: Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

InChI Key: InChIKey=PZDQWFGROZEEBN-UHFFFAOYSA-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 = 50070595   

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
Prothrombin (Homo sapiens (Human))	BDBM50070595 (2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...) Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease thrombin using succinyl-Ala-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50070595 (2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...) Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease trypsin using benzoyl-Phe-Val-Arg-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50070595 (2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...) Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease chymotrypsin using suc-Ala-Ala-Pro-Phe-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50070595 (2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...) Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease factor Xa using benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50070595 (2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...) Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease urokinase using carbobenzyloxy-Phe-Val-Arg-pnitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50070595 (2-Chloro-benzenesulfonic acid 3-(5-guanidino-penty...) Show SMILES Cc1cc(OCCCCCNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C19H24ClN3O4S/c1-14-11-15(26-10-6-2-5-9-23-19(21)22)13-16(12-14)27-28(24,25)18-8-4-3-7-17(18)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H4,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit serine protease plasmin using tosyl-Gly-Pro-Lys-p-nitroanilide as substrate				Bioorg Med Chem Lett 8: 1595-600 (1999) BindingDB Entry DOI: 10.7270/Q20864GK
					More data for this Ligand-Target Pair