BDBM50104435 4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl ester::CHEMBL87563

SMILES: CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1

InChI Key: InChIKey=YKGYIDJEEQRWQH-UHFFFAOYSA-N

Data: 2 KI  10 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 13 hits for monomerid = 50104435   

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
Plasminogen (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Philipps University Marburg Curated by ChEMBL					Assay Description Competitive inhibition of human plasmin assessed as reduction in hydrolytic activity using S-2251 as substrate by spectrophotometric method				J Med Chem 63: 1445-1472 (2020) Article DOI: 10.1021/acs.jmedchem.9b01060
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents		2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1) (Rattus norvegicus (Rat))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Technology Curated by ChEMBL					Assay Description Inhibitory activity of the compound against porcine kidney amine oxidase				Bioorg Med Chem Lett 11: 2565-8 (2001) BindingDB Entry DOI: 10.7270/Q25T3JR2
					More data for this Ligand-Target Pair
Hepsin (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	383	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	687	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay				J Med Chem 58: 9238-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b01171 BindingDB Entry DOI: 10.7270/Q241713M
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of purified human factor 10a using Suc-Ile-Glu(gammaPip)-GlyArg-pNa-HCl as substrate measured for 5 mins by spectrophotometric assay				J Med Chem 58: 9238-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b01171 BindingDB Entry DOI: 10.7270/Q241713M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay				J Med Chem 58: 9238-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b01171 BindingDB Entry DOI: 10.7270/Q241713M
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human uPA using pyro-Glu-Gly-Arg-pNA as substrate assessed as para-nitroaniline release from substrate measured for 5 mins by spectroph...				J Med Chem 58: 9238-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b01171 BindingDB Entry DOI: 10.7270/Q241713M
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of recombinant human tPA using H-D-Ile-Pro-L-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay				J Med Chem 58: 9238-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b01171 BindingDB Entry DOI: 10.7270/Q241713M
					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 2 (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50104435 (4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...) Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay				J Med Chem 58: 9238-57 (2015) Article DOI: 10.1021/acs.jmedchem.5b01171 BindingDB Entry DOI: 10.7270/Q241713M
					More data for this Ligand-Target Pair