Compile Data Set for Download or QSAR

Found 200 hits of ic50 for UniProtKB: P00760   

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 (Bos taurus (bovine))	BDBM50120225 (2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl...) Show SMILES CC(O)C(N(C)C(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C27H37N7O6/c1-17(20-8-5-4-6-9-20)31-25(37)24(18(2)35)33(3)26(38)22(32-23(36)10-7-15-30-27(28)29)16-19-11-13-21(14-12-19)34(39)40/h4-6,8-9,11-14,17-18,22,24,35H,7,10,15-16H2,1-3H3,(H6,28,29,30,31,32,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Trypsin was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0450	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Trypsin was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50290996 (3-tert-Butoxycarbonylamino-4-[2-(4-guanidino-1-phe...) Show SMILES CC(C)(C)OC(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C29H43N7O8/c1-29(2,3)44-28(43)35-20(17-22(37)38)26(42)36-16-8-12-21(36)24(40)34-19(11-7-14-33-27(30)31)23(39)25(41)32-15-13-18-9-5-4-6-10-18/h4-6,9-10,19-21H,7-8,11-17H2,1-3H3,(H,32,41)(H,34,40)(H,35,43)(H,37,38)(H4,30,31,33)/t19-,20-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291175 (((R)-1-Benzyl-2-{(S)-2-[(R)-4-guanidino-1-(thiazol...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C31H37N7O5S/c32-30(33)35-15-7-13-23(26(39)28-34-16-18-44-28)36-27(40)25-14-8-17-38(25)29(41)24(19-21-9-3-1-4-10-21)37-31(42)43-20-22-11-5-2-6-12-22/h1-6,9-12,16,18,23-25H,7-8,13-15,17,19-20H2,(H,36,40)(H,37,42)(H4,32,33,35)/t23-,24-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291167 (1-((S)-Oxo-3-(R)-2-amino-1-phenyl-propyl)-pyrrolid...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C23H31N7O3S/c24-16(14-15-6-2-1-3-7-15)22(33)30-12-5-9-18(30)20(32)29-17(8-4-10-28-23(25)26)19(31)21-27-11-13-34-21/h1-3,6-7,11,13,16-18H,4-5,8-10,12,14,24H2,(H,29,32)(H4,25,26,28)/t16-,17+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM14140 ((2S)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-[1-(1,3-...) Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H33N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20?,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...				J Med Chem 48: 1984-2008 (2005) Article DOI: 10.1021/jm0303857 BindingDB Entry DOI: 10.7270/Q2X0658X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029499 (CHEMBL141834 | tert-butyloxy carbonyl-D-Phe-thiazo...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CSCC1C(=O)N[C@@H](CCCNC(N)=N)C=O Show InChI InChI=1S/C24H36N6O5S/c1-24(2,3)35-23(34)29-18(12-16-8-5-4-6-9-16)21(33)30-15-36-14-19(30)20(32)28-17(13-31)10-7-11-27-22(25)26/h4-6,8-9,13,17-19H,7,10-12,14-15H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291173 (1-((S)-2-Amino-3-(R)-phenyl-propionyl)-azetidine-2...) Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C22H29N7O3S/c23-15(13-14-5-2-1-3-6-14)21(32)29-11-8-17(29)19(31)28-16(7-4-9-27-22(24)25)18(30)20-26-10-12-33-20/h1-3,5-6,10,12,15-17H,4,7-9,11,13,23H2,(H,28,31)(H4,24,25,27)/t15-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029498 (1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...) Show SMILES [#6][C@]([#7]-[#6](=O)C(F)(F)F)([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1 Show InChI InChI=1S/C21H27F3N6O4/c1-20(13-6-3-2-4-7-13,29-17(33)21(22,23)24)18(34)30-11-9-15(30)16(32)28-14(12-31)8-5-10-27-19(25)26/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H,28,32)(H,29,33)(H4,25,26,27)/t14-,15-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029515 (CHEMBL141584 | tert-butyloxy carbonyl-D-Phe-azetid...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C24H36N6O6/c1-24(2,3)36-23(35)29-17(14-15-8-5-4-6-9-15)20(32)30-13-11-18(30)19(31)28-16(21(33)34)10-7-12-27-22(25)26/h4-6,8-9,16-18H,7,10-14H2,1-3H3,(H,28,31)(H,29,35)(H,33,34)(H4,25,26,27)/t16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029506 (CHEMBL318998 | tert-butyloxy carbonyl-D-ethylpheny...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C24H36N6O5/c1-24(2,3)35-23(34)29-19(16-9-5-4-6-10-16)21(33)30-14-8-12-18(30)20(32)28-17(15-31)11-7-13-27-22(25)26/h4-6,9-10,15,17-19H,7-8,11-14H2,1-3H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against trypsin				Bioorg Med Chem Lett 13: 2029-33 (2003) BindingDB Entry DOI: 10.7270/Q22F7P0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1 (Bos taurus (bovine))	BDBM50029514 ((S)-1-((R)-2-Acetylamino-2-phenyl-propionyl)-azeti...) Show SMILES CC(=O)N[C@@](C)(C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C21H30N6O4/c1-14(29)26-21(2,15-7-4-3-5-8-15)19(31)27-12-10-17(27)18(30)25-16(13-28)9-6-11-24-20(22)23/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,25,30)(H,26,29)(H4,22,23,24)/t16-,17-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029510 (1N-[2-{2-[4-amino(imino)methylamino-1-formyl-(1S)-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)28-18(15-8-5-4-6-9-15)20(32)29-13-11-17(29)19(31)27-16(14-30)10-7-12-26-21(24)25/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3,(H,27,31)(H,28,33)(H4,24,25,26)/t16-,17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50228863 ((S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrro...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C21H32N6O3/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25)/t16-,17+,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029511 (CHEMBL104472 | tert-butyloxy carbonyl-D-Phe-pro-Ar...) Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O Show InChI InChI=1S/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50129034 (((R)-2-{(S)-2-[(5-Carbamimidoyl-1H-pyrrol-2-ylmeth...) Show SMILES Cn1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)ccc1C(N)=N |c:8| Show InChI InChI=1S/C23H34N6O4/c1-28-16(9-10-18(28)21(24)25)13-27-22(32)19-8-5-11-29(19)23(33)17(26-14-20(30)31)12-15-6-3-2-4-7-15/h5,8-10,15,17,19,26H,2-4,6-7,11-14H2,1H3,(H3,24,25)(H,27,32)(H,30,31)/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against trypsin				Bioorg Med Chem Lett 13: 2029-33 (2003) BindingDB Entry DOI: 10.7270/Q22F7P0N
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50063698 (4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...) Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description The compound was evaluated to inhibit trypsinand is expressed in IC50 (The concentration required to inhibit 50% of the enzyme).				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060000 ((S)-1-((R)-2-Methylamino-2-phenyl-acetyl)-pyrrolid...) Show SMILES CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C20H30N6O3/c1-23-17(14-7-3-2-4-8-14)19(29)26-12-6-10-16(26)18(28)25-15(13-27)9-5-11-24-20(21)22/h2-4,7-8,13,15-17,23H,5-6,9-12H2,1H3,(H,25,28)(H4,21,22,24)/t15-,16-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability to inhibit the activity of Trypsin				Bioorg Med Chem Lett 7: 2205-2210 (1997) Article DOI: 10.1016/S0960-894X(97)00403-4 BindingDB Entry DOI: 10.7270/Q21G0MR2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50280654 ((S)-5-Guanidino-2-{[(S)-1-((S)-2-methylamino-2-phe...) Show SMILES CN[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)c1ccccc1 Show InChI InChI=1S/C20H30N6O4/c1-23-16(13-7-3-2-4-8-13)18(28)26-12-6-10-15(26)17(27)25-14(19(29)30)9-5-11-24-20(21)22/h2-4,7-8,14-16,23H,5-6,9-12H2,1H3,(H,25,27)(H,29,30)(H4,21,22,24)/t14-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro concentration of compound required to inhibit 50% of trypsin				Bioorg Med Chem Lett 2: 1025-1028 (1992) Article DOI: 10.1016/S0960-894X(00)80611-3 BindingDB Entry DOI: 10.7270/Q2X066XV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM65488 (MdnA6) Show SMILES CC(C)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H](CCCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C82H106N16O22/c1-43(2)68(96-70(105)53(84)36-45-17-23-49(99)24-18-45)79(114)97-69-44(3)120-67(104)40-60-76(111)91-59(39-48-41-86-54-13-7-6-12-52(48)54)75(110)89-58-30-32-66(103)119-42-63(77(112)92-60)95-78(113)64-16-11-35-98(64)81(116)61(37-46-19-25-50(100)26-20-46)93-72(107)55(87-71(106)56(90-80(69)115)14-5-4-9-33-83)15-8-10-34-85-65(102)31-29-57(88-73(58)108)74(109)94-62(82(117)118)38-47-21-27-51(101)28-22-47/h6-7,12-13,17-28,41,43-44,53,55-64,68-69,86,99-101H,4-5,8-11,14-16,29-40,42,83-84H2,1-3H3,(H,85,102)(H,87,106)(H,88,108)(H,89,110)(H,90,115)(H,91,111)(H,92,112)(H,93,107)(H,94,109)(H,95,113)(H,96,105)(H,97,114)(H,117,118)/t44?,53-,55-,56+,57-,58-,59-,60-,61-,62-,63+,64-,68+,69-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	n/a	37
University of Helsinki					Assay Description The inhibition assays were performed in 96-well microtiter plates as follows: 30 uL of the enzyme solution (trypsin [100 ug/mL] or elastase [1.5 U/mL...				ACS Chem Biol 12: 1538-1546 (2017) Article DOI: 10.1021/acschembio.7b00124 BindingDB Entry DOI: 10.7270/Q2XS5SJH
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029507 (CHEMBL2370860 | {(R)-2-[2-((S)-1-Formyl-4-guanidin...) Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7][C@@]([#6])([#6](=O)-[#7]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O)c1ccccc1 Show InChI InChI=1S/C24H36N6O5/c1-23(2,3)35-22(34)29-24(4,16-9-6-5-7-10-16)20(33)30-14-12-18(30)19(32)28-17(15-31)11-8-13-27-21(25)26/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,28,32)(H,29,34)(H4,25,26,27)/t17-,18-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029500 ((S)-1-((S)-1,2,3,4-Tetrahydro-isoquinoline-3-carbo...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1)C=O Show InChI InChI=1S/C21H30N6O3/c22-21(23)24-9-3-7-16(13-28)26-19(29)18-8-4-10-27(18)20(30)17-11-14-5-1-2-6-15(14)12-25-17/h1-2,5-6,13,16-18,25H,3-4,7-12H2,(H,26,29)(H4,22,23,24)/t16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM65473 (MdnA3) Show SMILES CC(C)[C@@H](NC(=O)[C@@H](N)C(C)O)C(=O)N[C@H]1C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C75H100N18O22/c1-36(2)60(91-70(108)59(76)37(3)94)71(109)92-61-38(4)115-58(99)33-51-67(105)85-49(31-41-34-81-45-12-6-5-11-44(41)45)65(103)83-48-24-25-57(98)114-35-54(68(106)87-51)90-69(107)55-15-10-28-93(55)73(111)52(29-39-16-20-42(95)21-17-39)88-63(101)46(82-62(100)47(84-72(61)110)14-9-27-80-75(77)78)13-7-8-26-79-56(97)32-50(86-64(48)102)66(104)89-53(74(112)113)30-40-18-22-43(96)23-19-40/h5-6,11-12,16-23,34,36-38,46-55,59-61,81,94-96H,7-10,13-15,24-33,35,76H2,1-4H3,(H,79,97)(H,82,100)(H,83,103)(H,84,110)(H,85,105)(H,86,102)(H,87,106)(H,88,101)(H,89,104)(H,90,107)(H,91,108)(H,92,109)(H,112,113)(H4,77,78,80)/t37?,38?,46-,47+,48-,49-,50+,51-,52-,53-,54+,55-,59-,60+,61-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.4	n/a	n/a	n/a	n/a	n/a	37
University of Helsinki					Assay Description The inhibition assays were performed in 96-well microtiter plates as follows: 30 uL of the enzyme solution (trypsin [100 ug/mL] or elastase [1.5 U/mL...				ACS Chem Biol 12: 1538-1546 (2017) Article DOI: 10.1021/acschembio.7b00124 BindingDB Entry DOI: 10.7270/Q2XS5SJH
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM14063 ((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...) Show SMILES [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20?,21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...				J Med Chem 48: 1984-2008 (2005) Article DOI: 10.1021/jm0303857 BindingDB Entry DOI: 10.7270/Q2X0658X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM14073 ((2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimi...) Show SMILES [#6]-[#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C34H39N7O3S/c1-37-29(28(22-12-4-2-5-13-22)23-14-6-3-7-15-23)33(44)41-21-11-18-26(41)31(43)39-25(17-10-20-38-34(35)36)30(42)32-40-24-16-8-9-19-27(24)45-32/h2-9,12-16,19,25-26,28-29,37H,10-11,17-18,20-21H2,1H3,(H,39,43)(H4,35,36,38)/t25-,26-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...				J Med Chem 48: 1984-2008 (2005) Article DOI: 10.1021/jm0303857 BindingDB Entry DOI: 10.7270/Q2X0658X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM14075 ((2S)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamid...) Show SMILES [#6]-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1)-c1ccccc1 |r| Show InChI InChI=1S/C27H33N7O3S/c1-30-22(17-9-3-2-4-10-17)26(37)34-16-8-13-20(34)24(36)32-19(12-7-15-31-27(28)29)23(35)25-33-18-11-5-6-14-21(18)38-25/h2-6,9-11,14,19-20,22,30H,7-8,12-13,15-16H2,1H3,(H,32,36)(H4,28,29,31)/t19?,20-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical					Assay Description Trypsin-catalyzed hydrolysis rates were measured spectrophotometrically using bovine trypsin, a chromogenic substrate in aqueous buffer, and a microp...				J Med Chem 48: 1984-2008 (2005) Article DOI: 10.1021/jm0303857 BindingDB Entry DOI: 10.7270/Q2X0658X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50101132 (1,3-Dibenzyl-[1,3]diazetidine-2,4-dione | CHEMBL47...) Show SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1 Show InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against bovine pancreatic trypsin				Bioorg Med Chem Lett 11: 1691-4 (2001) BindingDB Entry DOI: 10.7270/Q2V12421
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029501 (5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O Show InChI InChI=1S/C21H36N6O3/c22-21(23)25-10-3-6-15(13-28)26-19(29)17-8-4-12-27(17)20(30)18-16-7-2-1-5-14(16)9-11-24-18/h13-18,24H,1-12H2,(H,26,29)(H4,22,23,25)/t14-,15-,16-,17-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50120368 ((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...) Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50290019 ((3S,6S,9aS)-6-(3-Methyl-1,2,3,4-tetrahydro-quinoli...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C26H39N7O5S/c1-15-13-16-5-2-9-21(22(16)29-14-15)39(37,38)31-19-7-3-6-17-10-11-20(33(17)25(19)36)23(34)30-18-8-4-12-32(24(18)35)26(27)28/h2,5,9,15,17-20,24,29,31,35H,3-4,6-8,10-14H2,1H3,(H3,27,28)(H,30,34)/t15?,17-,18-,19-,20-,24?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability to inhibit the activity of Trypsin				Bioorg Med Chem Lett 7: 2205-2210 (1997) Article DOI: 10.1016/S0960-894X(97)00403-4 BindingDB Entry DOI: 10.7270/Q21G0MR2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50290993 (2-(N'-Acetyl-N-benzyl-hydrazinocarbonyl)-cyclohexa...) Show SMILES CC(=O)NN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H43N7O5/c1-22(40)38-39(21-24-13-6-3-7-14-24)31(44)26-16-9-8-15-25(26)29(42)37-27(17-10-19-36-32(33)34)28(41)30(43)35-20-18-23-11-4-2-5-12-23/h2-7,11-14,25-27H,8-10,15-21H2,1H3,(H,35,43)(H,37,42)(H,38,40)(H4,33,34,36)/t25-,26-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50144554 ((R)-1-[4-(Biphenyl-4-carbonyl)-piperazine-1-carbon...) Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H32N4O5/c33-25(22-8-6-21(7-9-22)20-4-2-1-3-5-20)30-14-16-31(17-15-30)28(37)32-24(27(35)36)23(26(32)34)18-19-10-12-29-13-11-19/h1-9,19,23-24,29H,10-18H2,(H,35,36)/t23-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50144558 ((R)-1-[4-(4-Benzyloxy-benzoyl)-piperazine-1-carbon...) Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C29H34N4O6/c34-26(22-6-8-23(9-7-22)39-19-21-4-2-1-3-5-21)31-14-16-32(17-15-31)29(38)33-25(28(36)37)24(27(33)35)18-20-10-12-30-13-11-20/h1-9,20,24-25,30H,10-19H2,(H,36,37)/t24-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50144553 ((R)-4-Oxo-1-[4-(4-phenoxy-benzoyl)-piperazine-1-ca...) Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C28H32N4O6/c33-25(20-6-8-22(9-7-20)38-21-4-2-1-3-5-21)30-14-16-31(17-15-30)28(37)32-24(27(35)36)23(26(32)34)18-19-10-12-29-13-11-19/h1-9,19,23-24,29H,10-18H2,(H,35,36)/t23-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50144580 ((R)-1-(4-{4-[3-(4-Chloro-phenyl)-[1,2,4]oxadiazol-...) Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H33ClN6O6/c28-19-6-4-18(5-7-19)24-30-21(40-31-24)2-1-3-22(35)32-12-14-33(15-13-32)27(39)34-23(26(37)38)20(25(34)36)16-17-8-10-29-11-9-17/h4-7,17,20,23,29H,1-3,8-16H2,(H,37,38)/t20-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50289433 ((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...) Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029512 (CHEMBL139910 | tert-butyloxy carbonyl-D-Phe-DL-Pro...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(CCC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O Show InChI InChI=1S/C27H42N6O5/c1-26(2,3)38-25(37)32-20(16-18-10-7-6-8-11-18)23(36)33-21(13-14-27(33,4)5)22(35)31-19(17-34)12-9-15-30-24(28)29/h6-8,10-11,17,19-21H,9,12-16H2,1-5H3,(H,31,35)(H,32,37)(H4,28,29,30)/t19-,20-,21?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM31459 (CHEMBL224485 | substituted biphenyl derivative, 21) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H26N4O4/c1-15(2)14-29-24(31)17-9-12-20(22(13-17)26(33)34)19-5-3-4-6-21(19)25(32)30-18-10-7-16(8-11-18)23(27)28/h3-13,15H,14H2,1-2H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description Trypsin assay reactions were performed in a mixture containing trypsin, and test compounds were added at varied concentrations. The reactions were in...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50029502 (1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-...) Show SMILES C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1 Show InChI InChI=1S/C22H29F3N6O4/c1-21(14-7-3-2-4-8-14,30-18(34)22(23,24)25)19(35)31-12-6-10-16(31)17(33)29-15(13-32)9-5-11-28-20(26)27/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,29,33)(H,30,34)(H4,26,27,28)/t15-,16-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin				J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291166 ((R)-2-((R)-2-Amino-3-phenyl-propionylamino)-N-[(S)...) Show SMILES CC(C)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C23H33N7O3S/c1-14(2)18(30-20(32)16(24)13-15-7-4-3-5-8-15)21(33)29-17(9-6-10-28-23(25)26)19(31)22-27-11-12-34-22/h3-5,7-8,11-12,14,16-18H,6,9-10,13,24H2,1-2H3,(H,29,33)(H,30,32)(H4,25,26,28)/t16-,17+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50101131 (1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione | CHEMBL...) Show SMILES Cc1ccc(cc1)N1C(=O)N(C1=O)c1ccc(C)cc1 Show InChI InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against bovine pancreatic trypsin				Bioorg Med Chem Lett 11: 1691-4 (2001) BindingDB Entry DOI: 10.7270/Q2V12421
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291172 ((S)-1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxyli...) Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C23H30N6O3S/c24-23(25)27-12-4-8-17(20(31)22-26-13-15-33-22)28-21(32)18-9-5-14-29(18)19(30)11-10-16-6-2-1-3-7-16/h1-3,6-7,13,15,17-18H,4-5,8-12,14H2,(H,28,32)(H4,24,25,27)/t17-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291170 ((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...) Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C25H33N7O4S/c1-16(33)30-19(15-17-7-3-2-4-8-17)24(36)32-13-6-10-20(32)22(35)31-18(9-5-11-29-25(26)27)21(34)23-28-12-14-37-23/h2-4,7-8,12,14,18-20H,5-6,9-11,13,15H2,1H3,(H,30,33)(H,31,35)(H4,26,27,29)/t18-,19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291171 ((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...) Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C24H32N6O3S/c25-24(26)28-13-5-10-18(21(32)23-27-14-16-34-23)29-22(33)19-11-6-15-30(19)20(31)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,14,16,18-19H,4-6,9-13,15H2,(H,29,33)(H4,25,26,28)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM31486 (substituted biphenyl derivative, 36z) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccs1 Show InChI InChI=1S/C30H28N4O4S/c1-17(2)16-33-28(35)20-8-12-23(25(15-20)30(37)38)22-11-7-19(26-4-3-13-39-26)14-24(22)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description Trypsin assay reactions were performed in a mixture containing trypsin, and test compounds were added at varied concentrations. The reactions were in...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50144577 ((R)-1-[4-(6-Naphthalen-1-yl-hexanoyl)-piperazine-1...) Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1cccc2ccccc12 Show InChI InChI=1S/C31H40N4O5/c36-27(12-3-1-2-7-23-9-6-10-24-8-4-5-11-25(23)24)33-17-19-34(20-18-33)31(40)35-28(30(38)39)26(29(35)37)21-22-13-15-32-16-14-22/h4-6,8-11,22,26,28,32H,1-3,7,12-21H2,(H,38,39)/t26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 14: 2233-9 (2004) Article DOI: 10.1016/j.bmcl.2004.02.012 BindingDB Entry DOI: 10.7270/Q2SB4697
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50291000 (CHEMBL110631 | {N'-tert-Butoxycarbonyl-N-[2-(1-for...) Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O Show InChI InChI=1S/C23H40N6O7/c1-5-35-18(31)13-29(28-22(34)36-23(2,3)4)20(33)17-11-7-6-10-16(17)19(32)27-15(14-30)9-8-12-26-21(24)25/h14-17H,5-13H2,1-4H3,(H,27,32)(H,28,34)(H4,24,25,26)/t15-,16+,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50290999 (CHEMBL322034 | {N'-tert-Butoxycarbonyl-N-[2-(4-gua...) Show SMILES CCOC(=O)CN(NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C32H49N7O8/c1-5-46-25(40)20-39(38-31(45)47-32(2,3)4)29(44)23-15-10-9-14-22(23)27(42)37-24(16-11-18-36-30(33)34)26(41)28(43)35-19-17-21-12-7-6-8-13-21/h6-8,12-13,22-24H,5,9-11,14-20H2,1-4H3,(H,35,43)(H,37,42)(H,38,45)(H4,33,34,36)/t22-,23-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its 50% inhibitory concentration against cow protease enzyme trypsin				Bioorg Med Chem Lett 7: 315-320 (1997) Article DOI: 10.1016/S0960-894X(97)00005-X BindingDB Entry DOI: 10.7270/Q22R3RNK
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Bovine trypsin				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair

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