Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50031400   

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
Prothrombin (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312653 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312663 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6](-c2ccccc2)-c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C24H29N7O3/c1-17-14-28-22(23(33)31(17)16-21(32)27-12-13-34-30-24(25)26)29-15-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,14,20H,12-13,15-16H2,1H3,(H,27,32)(H,28,29)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312658 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2ncc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c2=O)cc1 Show InChI InChI=1S/C19H27N7O4/c1-13-11-24-17(23-8-7-14-3-5-15(29-2)6-4-14)18(28)26(13)12-16(27)22-9-10-30-25-19(20)21/h3-6,11H,7-10,12H2,1-2H3,(H,22,27)(H,23,24)(H4,20,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312662 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2cccc3ccccc23)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C22H27N7O3/c1-15-13-27-20(21(31)29(15)14-19(30)25-11-12-32-28-22(23)24)26-10-9-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,13H,9-12,14H2,1H3,(H,25,30)(H,26,27)(H4,23,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312654 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc(F)cc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H24FN7O3/c1-12-10-24-16(23-7-6-13-2-4-14(19)5-3-13)17(28)26(12)11-15(27)22-8-9-29-25-18(20)21/h2-5,10H,6-9,11H2,1H3,(H,22,27)(H,23,24)(H4,20,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312656 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc(F)cc2F)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-11-9-25-16(24-5-4-12-2-3-13(19)8-14(12)20)17(29)27(11)10-15(28)23-6-7-30-26-18(21)22/h2-3,8-9H,4-7,10H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312664 (1-{N-[2-(Amidino-N0-methylaminooxy)ethyl]amino}car...) Show SMILES [#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-n1c(-[#6])cnc(-[#7]-[#6]-[#6]-c2ccc(-[#6])cc2)c1=O Show InChI InChI=1S/C20H29N7O3/c1-14-4-6-16(7-5-14)8-9-23-18-19(29)27(15(2)12-24-18)13-17(28)26(3)10-11-30-25-20(21)22/h4-7,12H,8-11,13H2,1-3H3,(H,23,24)(H4,21,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312661 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc3-[#6]-[#6]-[#6]-c3c2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C21H29N7O3/c1-14-12-26-19(25-8-7-15-5-6-16-3-2-4-17(16)11-15)20(30)28(14)13-18(29)24-9-10-31-27-21(22)23/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,24,29)(H,25,26)(H4,22,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312657 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc(cc2)C(F)(F)F)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C19H24F3N7O3/c1-12-10-27-16(26-7-6-13-2-4-14(5-3-13)19(20,21)22)17(31)29(12)11-15(30)25-8-9-32-28-18(23)24/h2-5,10H,6-9,11H2,1H3,(H,25,30)(H,26,27)(H4,23,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312655 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]-[#6]-c2ccc(F)c(F)c2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-11-9-25-16(24-5-4-12-2-3-13(19)14(20)8-12)17(29)27(11)10-15(28)23-6-7-30-26-18(21)22/h2-3,8-9H,4-7,10H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312660 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-[#6]-c1ccc(-[#6]-[#6]-[#7]-c2ncc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c2=O)cc1 Show InChI InChI=1S/C20H29N7O3/c1-3-15-4-6-16(7-5-15)8-9-24-18-19(29)27(14(2)12-25-18)13-17(28)23-10-11-30-26-20(21)22/h4-7,12H,3,8-11,13H2,1-2H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50312659 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-c2ncc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c2=O)cc1-[#8]-[#6] Show InChI InChI=1S/C20H29N7O5/c1-13-11-25-18(24-7-6-14-4-5-15(30-2)16(10-14)31-3)19(29)27(13)12-17(28)23-8-9-32-26-20(21)22/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of tissue-type plasminogen activator				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50312653 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of plasmin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of plasmin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50312653 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of cathepsin G				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50312653 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of cathepsin G				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of urokinase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50312653 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of urokinase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 7a				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50312653 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 7a				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of plasmin				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of chymase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of cathepsin G				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of urokinase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50312652 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O)C#N Show InChI InChI=1S/C18H20F2N8O3/c19-18(20,12-4-2-1-3-5-12)11-26-15-16(30)28(13(8-21)9-25-15)10-14(29)24-6-7-31-27-17(22)23/h1-5,9H,6-7,10-11H2,(H,24,29)(H,25,26)(H4,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of factor 7a				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50312653 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1c(Cl)cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c1=O Show InChI InChI=1S/C17H20ClF2N7O3/c18-12-8-24-14(25-10-17(19,20)11-4-2-1-3-5-11)15(29)27(12)9-13(28)23-6-7-30-26-16(21)22/h1-5,8H,6-7,9-10H2,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of chymase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50312651 (1-{N-[2-(Amidinoaminooxy)ethyl]amino}carbonylmethy...) Show SMILES [#6]-c1cnc(-[#7]-[#6]C(F)(F)c2ccccc2)c(=O)n1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	>2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of chymase				J Med Chem 53: 1843-56 (2010) Article DOI: 10.1021/jm901802n BindingDB Entry DOI: 10.7270/Q22807Q9
					More data for this Ligand-Target Pair