Compile Data Set for Download or QSAR

Found 53 hits of ic50 for UniProtKB: P07478   

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
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062693 (Acetic acid (E)-3-[(biphenyl-4-carbonyl)-amino]-2-...) Show SMILES CC(=O)OCC(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C34H33N3O3/c1-24(38)40-23-31(22-26-11-8-14-30(21-26)33(35)36)32(20-15-25-9-4-2-5-10-25)37-34(39)29-18-16-28(17-19-29)27-12-6-3-7-13-27/h2-21,31-32H,22-23H2,1H3,(H3,35,36)(H,37,39)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062709 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-ethoxy-biphe...) Show SMILES CCOc1ccccc1-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC Show InChI InChI=1S/C35H35N3O4/c1-3-42-32-15-8-7-14-29(32)26-17-19-27(20-18-26)34(39)38-31(21-16-24-10-5-4-6-11-24)30(35(40)41-2)23-25-12-9-13-28(22-25)33(36)37/h4-22,30-31H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062698 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-methoxy-biph...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1OC)\C=C\c1ccccc1 Show InChI InChI=1S/C34H33N3O4/c1-40-31-14-7-6-13-28(31)25-16-18-26(19-17-25)33(38)37-30(20-15-23-9-4-3-5-10-23)29(34(39)41-2)22-24-11-8-12-27(21-24)32(35)36/h3-21,29-30H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062712 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methoxy-biph...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(OC)c1)\C=C\c1ccccc1 Show InChI InChI=1S/C34H33N3O4/c1-40-29-13-7-11-27(22-29)25-15-17-26(18-16-25)33(38)37-31(19-14-23-8-4-3-5-9-23)30(34(39)41-2)21-24-10-6-12-28(20-24)32(35)36/h3-20,22,30-31H,21H2,1-2H3,(H3,35,36)(H,37,38)/b19-14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062690 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-ethyl-biphen...) Show SMILES CCc1ccccc1-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC Show InChI InChI=1S/C35H35N3O3/c1-3-26-13-7-8-15-30(26)27-17-19-28(20-18-27)34(39)38-32(21-16-24-10-5-4-6-11-24)31(35(40)41-2)23-25-12-9-14-29(22-25)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062689 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3',4'-dimethoxy...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)c(OC)c1)\C=C\c1ccccc1 Show InChI InChI=1S/C35H35N3O5/c1-41-31-19-17-27(22-32(31)42-2)25-13-15-26(16-14-25)34(39)38-30(18-12-23-8-5-4-6-9-23)29(35(40)43-3)21-24-10-7-11-28(20-24)33(36)37/h4-20,22,29-30H,21H2,1-3H3,(H3,36,37)(H,38,39)/b18-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062700 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-ethyl-biphen...) Show SMILES CCc1cccc(c1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC Show InChI InChI=1S/C35H35N3O3/c1-3-24-11-7-13-29(21-24)27-16-18-28(19-17-27)34(39)38-32(20-15-25-9-5-4-6-10-25)31(35(40)41-2)23-26-12-8-14-30(22-26)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062683 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-methyl-biphe...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1cccc(C)c1)\C=C\c1ccccc1 Show InChI InChI=1S/C34H33N3O3/c1-23-8-6-12-28(20-23)26-15-17-27(18-16-26)33(38)37-31(19-14-24-9-4-3-5-10-24)30(34(39)40-2)22-25-11-7-13-29(21-25)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b19-14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062701 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-ethoxy-biphe...) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC Show InChI InChI=1S/C35H35N3O4/c1-3-42-30-19-17-27(18-20-30)26-13-15-28(16-14-26)34(39)38-32(21-12-24-8-5-4-6-9-24)31(35(40)41-2)23-25-10-7-11-29(22-25)33(36)37/h4-22,31-32H,3,23H2,1-2H3,(H3,36,37)(H,38,39)/b21-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062684 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-methyl-biphe...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(C)cc1)\C=C\c1ccccc1 Show InChI InChI=1S/C34H33N3O3/c1-23-11-14-26(15-12-23)27-16-18-28(19-17-27)33(38)37-31(20-13-24-7-4-3-5-8-24)30(34(39)40-2)22-25-9-6-10-29(21-25)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-13+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062713 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2',4'-dimethoxy...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)cc1OC)\C=C\c1ccccc1 Show InChI InChI=1S/C35H35N3O5/c1-41-28-17-18-29(32(22-28)42-2)25-13-15-26(16-14-25)34(39)38-31(19-12-23-8-5-4-6-9-23)30(35(40)43-3)21-24-10-7-11-27(20-24)33(36)37/h4-20,22,30-31H,21H2,1-3H3,(H3,36,37)(H,38,39)/b19-12+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062708 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-methoxy-biph...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccc(OC)cc1)\C=C\c1ccccc1 Show InChI InChI=1S/C34H33N3O4/c1-40-29-18-16-26(17-19-29)25-12-14-27(15-13-25)33(38)37-31(20-11-23-7-4-3-5-8-23)30(34(39)41-2)22-24-9-6-10-28(21-24)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-11+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062681 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(2'-methyl-biphe...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1C)\C=C\c1ccccc1 Show InChI InChI=1S/C34H33N3O3/c1-23-9-6-7-14-29(23)26-16-18-27(19-17-26)33(38)37-31(20-15-24-10-4-3-5-11-24)30(34(39)40-2)22-25-12-8-13-28(21-25)32(35)36/h3-21,30-31H,22H2,1-2H3,(H3,35,36)(H,37,38)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062688 ((E)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-ethoxy-biphe...) Show SMILES CCOc1cccc(c1)-c1ccc(cc1)C(=O)NC(\C=C\c1ccccc1)C(Cc1cccc(c1)C(N)=N)C(=O)OC Show InChI InChI=1S/C35H35N3O4/c1-3-42-30-14-8-12-28(23-30)26-16-18-27(19-17-26)34(39)38-32(20-15-24-9-5-4-6-10-24)31(35(40)41-2)22-25-11-7-13-29(21-25)33(36)37/h4-21,23,31-32H,3,22H2,1-2H3,(H3,36,37)(H,38,39)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062697 ((E)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimi...) Show SMILES COC(=O)C(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C33H31N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2-21,29-30H,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062699 (Biphenyl-4-carboxylic acid {(E)-1-[2-(3-carbamimid...) Show SMILES NC(=N)c1cccc(CCC(NC(=O)c2ccc(cc2)-c2ccccc2)\C=C\c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O/c32-30(33)28-13-7-10-24(22-28)15-21-29(20-14-23-8-3-1-4-9-23)34-31(35)27-18-16-26(17-19-27)25-11-5-2-6-12-25/h1-14,16-20,22,29H,15,21H2,(H3,32,33)(H,34,35)/b20-14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062695 (Biphenyl-4-carboxylic acid {(E)-1-[2-(3-carbamimid...) Show SMILES COCC(Cc1cccc(c1)C(N)=N)C(NC(=O)c1ccc(cc1)-c1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C33H33N3O2/c1-38-23-30(22-25-11-8-14-29(21-25)32(34)35)31(20-15-24-9-4-2-5-10-24)36-33(37)28-18-16-27(17-19-28)26-12-6-3-7-13-26/h2-21,30-31H,22-23H2,1H3,(H3,34,35)(H,36,37)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155619 (5-Chloro-thiophene-2-carboxylic acid {(R)-[4-(3-ox...) Show SMILES Clc1ccc(s1)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)N1CCOCC1=O)c1ccccc1 Show InChI InChI=1S/C23H20ClN3O4S/c24-19-11-10-18(32-19)22(29)26-21(15-4-2-1-3-5-15)23(30)25-16-6-8-17(9-7-16)27-12-13-31-14-20(27)28/h1-11,21H,12-14H2,(H,25,30)(H,26,29)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155621 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-met...) Show SMILES CCC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C21H24ClN3O4S/c1-3-4-15(24-21(28)17-7-8-18(22)30-17)20(27)23-14-5-6-16(13(2)11-14)25-9-10-29-12-19(25)26/h5-8,11,15H,3-4,9-10,12H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155615 (5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...) Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C22H26ClN3O4S/c1-13(2)10-16(25-22(29)18-6-7-19(23)31-18)21(28)24-15-4-5-17(14(3)11-15)26-8-9-30-12-20(26)27/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,24,28)(H,25,29)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155629 (5-Chloro-thiophene-2-carboxylic acid {(R)-2-methox...) Show SMILES COC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C20H22ClN3O5S/c1-12-9-13(3-4-15(12)24-7-8-29-11-18(24)25)22-19(26)14(10-28-2)23-20(27)16-5-6-17(21)30-16/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,22,26)(H,23,27)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155625 (5-Chloro-thiophene-2-carboxylic acid {(R)-2-methyl...) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C20H22ClN3O4S/c1-12(2)18(23-19(26)15-7-8-16(21)29-15)20(27)22-13-3-5-14(6-4-13)24-9-10-28-11-17(24)25/h3-8,12,18H,9-11H2,1-2H3,(H,22,27)(H,23,26)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155633 (5-Chloro-thiophene-2-carboxylic acid {(R)-2-ethoxy...) Show SMILES CCOC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C21H24ClN3O5S/c1-3-29-11-15(24-21(28)17-6-7-18(22)31-17)20(27)23-14-4-5-16(13(2)10-14)25-8-9-30-12-19(25)26/h4-7,10,15H,3,8-9,11-12H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155632 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-chl...) Show SMILES COC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1 Show InChI InChI=1S/C19H19Cl2N3O5S/c1-28-9-13(23-19(27)15-4-5-16(21)30-15)18(26)22-11-2-3-14(12(20)8-11)24-6-7-29-10-17(24)25/h2-5,8,13H,6-7,9-10H2,1H3,(H,22,26)(H,23,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155631 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-met...) Show SMILES CC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C20H22ClN3O4S/c1-3-14(23-20(27)16-6-7-17(21)29-16)19(26)22-13-4-5-15(12(2)10-13)24-8-9-28-11-18(24)25/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,22,26)(H,23,27)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155622 (5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...) Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C21H24ClN3O4S/c1-13(2)11-16(24-21(28)17-7-8-18(22)30-17)20(27)23-14-3-5-15(6-4-14)25-9-10-29-12-19(25)26/h3-8,13,16H,9-12H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155630 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-met...) Show SMILES CCCOC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C22H26ClN3O5S/c1-3-9-30-12-16(25-22(29)18-6-7-19(23)32-18)21(28)24-15-4-5-17(14(2)11-15)26-8-10-31-13-20(26)27/h4-7,11,16H,3,8-10,12-13H2,1-2H3,(H,24,28)(H,25,29)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155616 (5-Chloro-thiophene-2-carboxylic acid {(S)-[4-(3-ox...) Show SMILES Clc1ccc(s1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)N1CCOCC1=O)c1ccccc1 Show InChI InChI=1S/C23H20ClN3O4S/c24-19-11-10-18(32-19)22(29)26-21(15-4-2-1-3-5-15)23(30)25-16-6-8-17(9-7-16)27-12-13-31-14-20(27)28/h1-11,21H,12-14H2,(H,25,30)(H,26,29)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) Show SMILES CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C22H25ClN4O4/c1-2-3-19(26-22(30)25-17-6-4-15(23)5-7-17)21(29)24-16-8-10-18(11-9-16)27-12-13-31-14-20(27)28/h4-11,19H,2-3,12-14H2,1H3,(H,24,29)(H2,25,26,30)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155611 (5-Chloro-thiophene-2-carboxylic acid {[4-(3-oxo-mo...) Show SMILES Clc1ccc(s1)C(=O)NCC(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C17H16ClN3O4S/c18-14-6-5-13(26-14)17(24)19-9-15(22)20-11-1-3-12(4-2-11)21-7-8-25-10-16(21)23/h1-6H,7-10H2,(H,19,24)(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155613 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[4-(3-...) Show SMILES C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C18H18ClN3O4S/c1-11(20-18(25)14-6-7-15(19)27-14)17(24)21-12-2-4-13(5-3-12)22-8-9-26-10-16(22)23/h2-7,11H,8-10H2,1H3,(H,20,25)(H,21,24)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155614 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-met...) Show SMILES C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C19H20ClN3O4S/c1-11-9-13(3-4-14(11)23-7-8-27-10-17(23)24)22-18(25)12(2)21-19(26)15-5-6-16(20)28-15/h3-6,9,12H,7-8,10H2,1-2H3,(H,21,26)(H,22,25)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155612 (5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...) Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)-n1ccncc1=O Show InChI InChI=1S/C21H21ClN4O3S/c1-13(2)11-16(25-21(29)17-7-8-18(22)30-17)20(28)24-14-3-5-15(6-4-14)26-10-9-23-12-19(26)27/h3-10,12-13,16H,11H2,1-2H3,(H,24,28)(H,25,29)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155617 (5-Chloro-thiophene-2-carboxylic acid {(R)-2-methox...) Show SMILES COC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(c1)C(F)(F)F Show InChI InChI=1S/C20H19ClF3N3O5S/c1-31-9-13(26-19(30)15-4-5-16(21)33-15)18(29)25-11-2-3-14(12(8-11)20(22,23)24)27-6-7-32-10-17(27)28/h2-5,8,13H,6-7,9-10H2,1H3,(H,25,29)(H,26,30)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155618 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-flu...) Show SMILES COC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(F)c1 Show InChI InChI=1S/C19H19ClFN3O5S/c1-28-9-13(23-19(27)15-4-5-16(20)30-15)18(26)22-11-2-3-14(12(21)8-11)24-6-7-29-10-17(24)25/h2-5,8,13H,6-7,9-10H2,1H3,(H,22,26)(H,23,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155620 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[4-(3-...) Show SMILES CCC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C20H22ClN3O4S/c1-2-3-15(23-20(27)16-8-9-17(21)29-16)19(26)22-13-4-6-14(7-5-13)24-10-11-28-12-18(24)25/h4-9,15H,2-3,10-12H2,1H3,(H,22,26)(H,23,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155624 (5-Chloro-thiophene-2-carboxylic acid {(R)-1-[4-(3-...) Show SMILES CC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C19H20ClN3O4S/c1-2-14(22-19(26)15-7-8-16(20)28-15)18(25)21-12-3-5-13(6-4-12)23-9-10-27-11-17(23)24/h3-8,14H,2,9-11H2,1H3,(H,21,25)(H,22,26)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155627 (5-Chloro-thiophene-2-carboxylic acid {(S)-3-methyl...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)N1CCOCC1=O Show InChI InChI=1S/C21H24ClN3O4S/c1-13(2)11-16(24-21(28)17-7-8-18(22)30-17)20(27)23-14-3-5-15(6-4-14)25-9-10-29-12-19(25)26/h3-8,13,16H,9-12H2,1-2H3,(H,23,27)(H,24,28)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155626 (5-Chloro-thiophene-2-carboxylic acid {(R)-2-(2-met...) Show SMILES COCCOC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 Show InChI InChI=1S/C22H26ClN3O6S/c1-14-11-15(3-4-17(14)26-7-8-31-13-20(26)27)24-21(28)16(12-32-10-9-30-2)25-22(29)18-5-6-19(23)33-18/h3-6,11,16H,7-10,12-13H2,1-2H3,(H,24,28)(H,25,29)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155628 (5-Chloro-thiophene-2-carboxylic acid {(R)-2-hydrox...) Show SMILES Cc1cc(NC(=O)[C@@H](CO)NC(=O)c2ccc(Cl)s2)ccc1N1CCOCC1=O Show InChI InChI=1S/C19H20ClN3O5S/c1-11-8-12(2-3-14(11)23-6-7-28-10-17(23)25)21-18(26)13(9-24)22-19(27)15-4-5-16(20)29-15/h2-5,8,13,24H,6-7,9-10H2,1H3,(H,21,26)(H,22,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50155623 (5-Chloro-thiophene-2-carboxylic acid {(R)-3-methyl...) Show SMILES CC(C)C[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(cc1)-n1ccccc1=O Show InChI InChI=1S/C22H22ClN3O3S/c1-14(2)13-17(25-22(29)18-10-11-19(23)30-18)21(28)24-15-6-8-16(9-7-15)26-12-4-3-5-20(26)27/h3-12,14,17H,13H2,1-2H3,(H,24,28)(H,25,29)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50149093 (3-[2-(5-Chloro-thiophen-2-yl)-1H-benzoimidazol-5-y...) Show SMILES Fc1cc(ccc1NC(=O)CCc1ccc2nc([nH]c2c1)-c1ccc(Cl)s1)N1CCOCC1=O Show InChI InChI=1S/C24H20ClFN4O3S/c25-21-7-6-20(34-21)24-28-18-4-1-14(11-19(18)29-24)2-8-22(31)27-17-5-3-15(12-16(17)26)30-9-10-33-13-23(30)32/h1,3-7,11-12H,2,8-10,13H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068280 (5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...) Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against trypsin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50062694 ((E)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carbamimi...) Show SMILES NC(=N)c1cccc(CC(C(NC(=O)c2ccc(cc2)-c2ccccc2)\C=C\c2ccccc2)C(O)=O)c1 Show InChI InChI=1S/C32H29N3O3/c33-30(34)27-13-7-10-23(20-27)21-28(32(37)38)29(19-14-22-8-3-1-4-9-22)35-31(36)26-17-15-25(16-18-26)24-11-5-2-6-12-24/h1-20,28-29H,21H2,(H3,33,34)(H,35,36)(H,37,38)/b19-14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Collegeville Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				J Med Chem 41: 437-50 (1998) Article DOI: 10.1021/jm970482y BindingDB Entry DOI: 10.7270/Q28W3CFK
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068284 (3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...) Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against trypsin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067898 (3-(5-(dimethylamino)naphthalene-1-sulfonamido)phen...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O Show InChI InChI=1S/C18H19BN2O4S/c1-21(2)17-10-4-9-16-15(17)8-5-11-18(16)26(24,25)20-14-7-3-6-13(12-14)19(22)23/h3-12,20,22-23H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067888 ((3R)-tetrahydrofuran boronic acid | CHEMBL140723) Show SMILES OB(O)[C@@H]1CCOC1 Show InChI InChI=1S/C4H9BO3/c6-5(7)4-1-2-8-3-4/h4,6-7H,1-3H2/t4-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067891 (5-chlorothiophen-2-ylboronic acid | 5-chlorothiphe...) Show SMILES OB(O)c1ccc(Cl)s1 Show InChI InChI=1S/C4H4BClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM26140 (1-benzofuran-2-ylboranediol | 1-benzofuran-2-ylbor...) Show SMILES OB(O)c1cc2ccccc2o1 Show InChI InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair
Trypsin-2 (Homo sapiens (Human))	BDBM50067899 (2-Thiopheneboronicacid | CHEMBL141272 | Thiophene-...) Show SMILES OB(O)c1cccs1 Show InChI InChI=1S/C4H5BO2S/c6-5(7)4-2-1-3-8-4/h1-3,6-7H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against beta-trypsin				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
					More data for this Ligand-Target Pair

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