Compile Data Set for Download or QSAR

Found 247 hits for UniProtKB: P08419   

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
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034579 (CHEMBL290577 | Peptide boronate) Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C38H52BN3O6/c1-7-36(2,3)34(39-47-31-23-27-22-30(37(27,4)5)38(31,6)48-39)41-32(43)29-19-14-20-42(29)33(44)28(21-25-15-10-8-11-16-25)40-35(45)46-24-26-17-12-9-13-18-26/h8-13,15-18,27-31,34H,7,14,19-24H2,1-6H3,(H,40,45)(H,41,43)/t27?,28-,29-,30?,31+,34?,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.365	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034582 (CHEMBL2448441 | Peptide boronate) Show SMILES Br.[H][C@@]12CC3CC(C3(C)C)[C@]1(C)OB(O2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |TLB:11:10:7:5,THB:12:10:7:5,14:2:7:5| Show InChI InChI=1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26)48-38(49-37)31(17-10-18-32(50)42-39)41-33(44)28-16-11-19-43(28)34(45)27(20-24-12-6-4-7-13-24)40-35(46)47-23-25-14-8-5-9-15-25;/h4-9,12-15,26-31H,10-11,16-23,39H2,1-3H3,(H,40,46)(H,41,44)(H,42,50);1H/t26?,27-,28-,29?,30+,31?,37-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.848	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034576 (CHEMBL288176 | Peptide boronate) Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C42H54BN3O6/c1-7-40(2,3)38(43-51-35-25-31-24-34(41(31,4)5)42(35,6)52-43)45-36(47)33-18-13-21-46(33)37(48)32(44-39(49)50-26-27-14-9-8-10-15-27)23-28-19-20-29-16-11-12-17-30(29)22-28/h8-12,14-17,19-20,22,31-35,38H,7,13,18,21,23-26H2,1-6H3,(H,44,49)(H,45,47)/t31?,32-,33-,34?,35+,38?,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034574 (CHEMBL288150 | Peptide boronate) Show SMILES COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C37H50BN3O7/c1-36(2)27-22-30(36)37(3)31(23-27)47-38(48-37)32(18-12-20-45-4)40-33(42)29-17-11-19-41(29)34(43)28(21-25-13-7-5-8-14-25)39-35(44)46-24-26-15-9-6-10-16-26/h5-10,13-16,27-32H,11-12,17-24H2,1-4H3,(H,39,44)(H,40,42)/t27?,28-,29-,30?,31+,32?,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034577 (CHEMBL291026 | Peptide boronate) Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C38H52BN3O6/c1-5-6-9-20-33(39-47-32-24-28-23-31(37(28,2)3)38(32,4)48-39)41-34(43)30-19-14-21-42(30)35(44)29(22-26-15-10-7-11-16-26)40-36(45)46-25-27-17-12-8-13-18-27/h7-8,10-13,15-18,28-33H,5-6,9,14,19-25H2,1-4H3,(H,40,45)(H,41,43)/t28?,29-,30-,31?,32+,33?,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034585 (CHEMBL285285 | Peptide boronate) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C40H48BN3O6/c1-39(2)30-24-33(39)40(3)34(25-30)49-41(50-40)35(23-28-16-9-5-10-17-28)43-36(45)32-20-13-21-44(32)37(46)31(22-27-14-7-4-8-15-27)42-38(47)48-26-29-18-11-6-12-19-29/h4-12,14-19,30-35H,13,20-26H2,1-3H3,(H,42,47)(H,43,45)/t30?,31-,32-,33?,34+,35?,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034580 (CHEMBL418050 | Peptide boronate) Show SMILES CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C46H52BN3O6/c1-45(2)35-28-37(45)46(3)38(29-35)55-47(56-46)39(27-31-17-8-4-9-18-31)48-42(51)36-25-16-26-50(36)43(52)41(49-44(53)54-30-32-19-10-5-11-20-32)40(33-21-12-6-13-22-33)34-23-14-7-15-24-34/h4-15,17-24,35-41H,16,25-30H2,1-3H3,(H,48,51)(H,49,53)/t35?,36-,37?,38+,39?,41-,46-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50061024 ((2-Methyl-1-{(S)-oxo-[(S)-2-((S)-3,3,3-trifluoro-1...) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H28F3N3O5/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28)/t11-,12-,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound for porcine Pancreatic elastase				J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50286327 (4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...) Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014738 (CHEMBL130253 | N-(Adamantyl-sulfonyl)-N-(methoxy s...) Show SMILES COC(=O)CCC(=O)NCCCC[C@H](NS(=O)(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |TLB:25:24:27:19.20.21,25:20:27:26.24.23,THB:23:22:19:26.24.25,23:24:19:27.22.21| Show InChI InChI=1S/C32H49F3N4O8S/c1-19(2)27(28(42)32(33,34)35)37-29(43)24-8-6-12-39(24)30(44)23(7-4-5-11-36-25(40)9-10-26(41)47-3)38-48(45,46)31-16-20-13-21(17-31)15-22(14-20)18-31/h19-24,27,38H,4-18H2,1-3H3,(H,36,40)(H,37,43)/t20?,21?,22?,23-,24-,27-,31?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity for porcine Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50286327 (4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...) Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	15	n/a	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282866 (4-Ethyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulf...) Show SMILES CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O3S2/c1-2-12-7-6-10-14-15(12)16(23)21(27(14,24)25)11-26-17-18-19-20-22(17)13-8-4-3-5-9-13/h3-10H,2,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	20	n/a	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034581 (CHEMBL36744 | Peptide boronate) Show SMILES COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C43H54BN3O7/c1-42(2)32-26-34(42)43(3)35(27-32)53-44(54-43)36(23-15-25-51-4)45-39(48)33-22-14-24-47(33)40(49)38(46-41(50)52-28-29-16-8-5-9-17-29)37(30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-21,32-38H,14-15,22-28H2,1-4H3,(H,45,48)(H,46,50)/t32?,33-,34?,35+,36?,38-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50031187 (2-{(S)-2-[((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfon...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C(N)=O Show InChI InChI=1S/C37H39ClN6O9S/c1-19(2)29(31(45)36-40-26-18-23(32(39)46)11-16-28(26)53-36)41-35(49)27-6-5-17-44(27)37(50)30(20(3)4)42-33(47)21-7-9-22(10-8-21)34(48)43-54(51,52)25-14-12-24(38)13-15-25/h7-16,18-20,27,29-30H,5-6,17H2,1-4H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t27-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282868 (1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...) Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	26	n/a	n/a	n/a	n/a	n/a	130	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282868 (1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...) Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014747 (3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...) Show SMILES COC(=O)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O Show InChI InChI=1S/C20H30N4O7/c1-11(16(26)20(30)31-4)21-18(28)15-8-6-10-24(15)19(29)12(2)22-17(27)14-7-5-9-23(14)13(3)25/h11-12,14-15H,5-10H2,1-4H3,(H,21,28)(H,22,27)/t11-,12-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against rat Cathepsin G				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014736 ((1-{1-Methyl-2-oxo-2-[2-(3,3,3-trifluoro-1-isoprop...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H35F3N4O6/c1-11(2)15(16(30)22(23,24)25)28-18(32)14-9-8-10-29(14)19(33)13(4)26-17(31)12(3)27-20(34)35-21(5,6)7/h11-15H,8-10H2,1-7H3,(H,26,31)(H,27,34)(H,28,32)/t12-,13-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity for porcine Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014730 (CHEMBL130271 | N-(1-{1-Methyl-2-oxo-2-[2-(3,3,3-tr...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity for porcine Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034583 (CHEMBL287918 | Peptide boronate) Show SMILES CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H56BN3O6/c1-5-6-10-25-37(45-53-36-28-33-27-35(43(33,2)3)44(36,4)54-45)46-40(49)34-24-17-26-48(34)41(50)39(47-42(51)52-29-30-18-11-7-12-19-30)38(31-20-13-8-14-21-31)32-22-15-9-16-23-32/h7-9,11-16,18-23,33-39H,5-6,10,17,24-29H2,1-4H3,(H,46,49)(H,47,51)/t33?,34-,35?,36+,37?,39-,44-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282874 (4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	39	n/a	n/a	n/a	n/a	n/a	140	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282874 (4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50034573 (CHEMBL291261 | Peptide boronate) Show SMILES CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 Show InChI InChI=1S/C44H56BN3O6/c1-7-42(2,3)40(45-53-35-27-32-26-34(43(32,4)5)44(35,6)54-45)47-38(49)33-24-17-25-48(33)39(50)37(46-41(51)52-28-29-18-11-8-12-19-29)36(30-20-13-9-14-21-30)31-22-15-10-16-23-31/h8-16,18-23,32-37,40H,7,17,24-28H2,1-6H3,(H,46,51)(H,47,49)/t32?,33-,34?,35+,37-,40?,44-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Thrombosis Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound towards porcine pancreatic elastase				J Med Chem 38: 1511-22 (1995) BindingDB Entry DOI: 10.7270/Q2QR4W57
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50036479 (1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...) Show SMILES O=C1N(CSc2nnnn2-c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C15H11N5O3S2/c21-14-12-8-4-5-9-13(12)25(22,23)19(14)10-24-15-16-17-18-20(15)11-6-2-1-3-7-11/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	62	n/a	n/a	n/a	n/a	n/a	240	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282871 (4-Methyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsul...) Show SMILES Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O3S2/c1-11-6-5-9-13-14(11)15(22)20(26(13,23)24)10-25-16-17-18-19-21(16)12-7-3-2-4-8-12/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	74	n/a	n/a	n/a	n/a	n/a	280	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014732 (1-{2-[2-(5-Dimethylamino-naphthalene-1-sulfonylami...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C29H38F3N5O6S/c1-16(2)24(25(38)29(30,31)32)34-27(40)22-13-9-15-37(22)28(41)18(4)33-26(39)17(3)35-44(42,43)23-14-8-10-19-20(23)11-7-12-21(19)36(5)6/h7-8,10-12,14,16-18,22,24,35H,9,13,15H2,1-6H3,(H,33,39)(H,34,40)/t17-,18-,22-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against human Cathepsin G				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014745 (3-{2-[2-(2-Benzyloxycarbonylamino-propionylamino)-...) Show SMILES CCOC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C23H32N4O8/c1-6-34-22(32)18(28)13(2)24-19(29)14(3)25-20(30)15(4)26-21(31)16(5)27-23(33)35-12-17-10-8-7-9-11-17/h7-11,13-16H,6,12H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)(H,27,33)/t13-,14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against human Cathepsin G				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014742 (Acetyl-Ala-Ala-Pro-Ala-trifluromethane | CHEMBL130...) Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F Show InChI InChI=1S/C17H25F3N4O5/c1-8(13(26)17(18,19)20)22-15(28)12-6-5-7-24(12)16(29)10(3)23-14(27)9(2)21-11(4)25/h8-10,12H,5-7H2,1-4H3,(H,21,25)(H,22,28)(H,23,27)/t8-,9-,10-,12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity for porcine Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50058391 ((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound for porcine Pancreatic elastase				J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014740 (Acetyl-Pro-Ala-Pro-Ala-trifluoro methane | CHEMBL1...) Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F Show InChI InChI=1S/C19H27F3N4O5/c1-10(15(28)19(20,21)22)23-17(30)14-7-5-9-26(14)18(31)11(2)24-16(29)13-6-4-8-25(13)12(3)27/h10-11,13-14H,4-9H2,1-3H3,(H,23,30)(H,24,29)/t10-,11-,13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity for porcine Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282878 (4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...) Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	400	n/a	n/a	n/a	n/a	n/a	210	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014748 (3-[(1-{2-[2-(3-Methoxycarbonyl-propionylamino)-pro...) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)OC Show InChI InChI=1S/C23H36N4O9/c1-12(2)18(19(30)23(34)36-6)26-21(32)15-8-7-11-27(15)22(33)14(4)25-20(31)13(3)24-16(28)9-10-17(29)35-5/h12-15,18H,7-11H2,1-6H3,(H,24,28)(H,25,31)(H,26,32)/t13-,14-,15-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity for porcine Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014744 (3-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...) Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(O)=O Show InChI InChI=1S/C19H28N4O7/c1-10(15(25)19(29)30)20-17(27)14-7-5-9-23(14)18(28)11(2)21-16(26)13-6-4-8-22(13)12(3)24/h10-11,13-14H,4-9H2,1-3H3,(H,20,27)(H,21,26)(H,29,30)/t10-,11-,13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against porcine pancreatic Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50228470 (CHEMBL2370693) Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C=O Show InChI InChI=1S/C18H28N4O5/c1-11(10-23)19-16(25)15-7-5-9-22(15)18(27)12(2)20-17(26)14-6-4-8-21(14)13(3)24/h10-12,14-15H,4-9H2,1-3H3,(H,19,25)(H,20,26)/t11-,12-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against porcine pancreatic Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50286330 (4,5-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...) Show SMILES COc1ccc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c1OC Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13-14(15(12)27-2)16(23)21(29(13,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50029703 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...) Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282869 (4-(1-Ethyl-propyl)-1,1-dioxo-2-(1-phenyl-1H-tetraz...) Show SMILES CCC(CC)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C20H21N5O3S2/c1-3-14(4-2)16-11-8-12-17-18(16)19(26)24(30(17,27)28)13-29-20-21-22-23-25(20)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014737 (CHEMBL446422 | {1-Benzyl-2-oxo-2-[2-(3,3,3-trifluo...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C25H34F3N3O5/c1-15(2)19(20(32)25(26,27)28)30-21(33)18-12-9-13-31(18)22(34)17(14-16-10-7-6-8-11-16)29-23(35)36-24(3,4)5/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,35)(H,30,33)/t17-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against human Elastase for more active diasteriomer				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226399 (CHEMBL3143932) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Sc1nnnn1-c1ccccc1 |r| Show InChI InChI=1S/C28H38N8O7S/c1-17(2)35(28(42)44-27-31-32-33-36(27)20-10-7-6-8-11-20)16-22(37)21-12-9-15-34(21)26(41)19(4)30-25(40)18(3)29-23(38)13-14-24(39)43-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,29,38)(H,30,40)/t18-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50036127 (CHEMBL11391 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H26F3N3O5/c1-17(2)23(24(35)27(28,29)30)32-22(34)15-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)31-26(37)38-16-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,31,37)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic elastase				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014733 (2,2-Difluoro-4-[(1-{2-[2-(3-methoxycarbonyl-propio...) Show SMILES CCOC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)C(C)C Show InChI InChI=1S/C25H38F2N4O9/c1-7-40-24(38)25(26,27)20(34)19(13(2)3)30-22(36)16-9-8-12-31(16)23(37)15(5)29-21(35)14(4)28-17(32)10-11-18(33)39-6/h13-16,19H,7-12H2,1-6H3,(H,28,32)(H,29,35)(H,30,36)/t14-,15-,16-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against alpha-chymotrypsin				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50286331 (4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...) Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding constant Ki=Kon/Koff				Bioorg Med Chem Lett 6: 2941-2946 (1996) Article DOI: 10.1016/S0960-894X(96)00553-7 BindingDB Entry DOI: 10.7270/Q2KP825W
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226400 (CHEMBL3143923) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Sc1nnnn1C |r| Show InChI InChI=1S/C23H36N8O7S/c1-13(2)31(23(37)39-22-26-27-28-29(22)5)12-17(32)16-8-7-11-30(16)21(36)15(4)25-20(35)14(3)24-18(33)9-10-19(34)38-6/h13-16H,7-12H2,1-6H3,(H,24,33)(H,25,35)/t14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50014734 (CHEMBL132768 | N-{1-Benzyl-2-oxo-2-[2-(3,3,3-trifl...) Show SMILES COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C25H32F3N3O6/c1-15(2)21(22(34)25(26,27)28)30-23(35)18-10-7-13-31(18)24(36)17(14-16-8-5-4-6-9-16)29-19(32)11-12-20(33)37-3/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,32)(H,30,35)/t17-,18+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity against human Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226396 (CHEMBL3143922) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccccc1 |r| Show InChI InChI=1S/C27H38N4O8/c1-17(2)31(27(37)39-20-10-7-6-8-11-20)16-22(32)21-12-9-15-30(21)26(36)19(4)29-25(35)18(3)28-23(33)13-14-24(34)38-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,28,33)(H,29,35)/t18-,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226401 (CHEMBL3143927) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F |r| Show InChI InChI=1S/C27H33F5N4O8/c1-12(2)36(27(42)44-24-22(31)20(29)19(28)21(30)23(24)32)11-16(37)15-7-6-10-35(15)26(41)14(4)34-25(40)13(3)33-17(38)8-9-18(39)43-5/h12-15H,6-11H2,1-5H3,(H,33,38)(H,34,40)/t13-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226397 (CHEMBL3143925) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C27H37N5O10/c1-16(2)31(27(38)42-20-10-8-19(9-11-20)32(39)40)15-22(33)21-7-6-14-30(21)26(37)18(4)29-25(36)17(3)28-23(34)12-13-24(35)41-5/h8-11,16-18,21H,6-7,12-15H2,1-5H3,(H,28,34)(H,29,36)/t17-,18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A (Sus scrofa (Pig))	BDBM50226398 (CHEMBL3143926) Show SMILES COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C25H35F7N4O8/c1-13(2)36(22(42)44-12-23(26,27)24(28,29)25(30,31)32)11-17(37)16-7-6-10-35(16)21(41)15(4)34-20(40)14(3)33-18(38)8-9-19(39)43-5/h13-16H,6-12H2,1-5H3,(H,33,38)(H,34,40)/t14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase				J Med Chem 29: 1468-76 (1986) BindingDB Entry DOI: 10.7270/Q2NG4ST4
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50089095 (CHEMBL216418 | Met-Phe-Leu-Glu-Ala-Ile-Pro-Met-Ser...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CCSC)[C@H](C)CC)C(O)=O Show InChI InChI=1S/C53H86N10O14S2/c1-10-30(5)42(52(75)63-23-15-18-40(63)51(74)57-36(22-25-79-9)47(70)60-39(28-64)50(73)62-43(53(76)77)31(6)11-2)61-44(67)32(7)55-46(69)35(19-20-41(65)66)56-48(71)37(26-29(3)4)59-49(72)38(27-33-16-13-12-14-17-33)58-45(68)34(54)21-24-78-8/h12-14,16-17,29-32,34-40,42-43,64H,10-11,15,18-28,54H2,1-9H3,(H,55,69)(H,56,71)(H,57,74)(H,58,68)(H,59,72)(H,60,70)(H,61,67)(H,62,73)(H,65,66)(H,76,77)/t30-,31-,32-,34-,35-,36+,37-,38-,39+,40+,42-,43+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Oxford Centre for Molecular Sciences Curated by ChEMBL					Assay Description Peptide was tested for inhibition constant for competitive inhibition using Suc-AAPA-pNa and Pancreatic elastase				Bioorg Med Chem Lett 10: 1219-21 (2000) BindingDB Entry DOI: 10.7270/Q2FQ9VTD
					More data for this Ligand-Target Pair

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