Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'angelastro' and Initial = 'mr'   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50228471 (CHEMBL131548) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C38H50F3N5O8/c1-24(2)30(32(47)38(39,40)41)44-34(49)29-19-13-21-46(29)35(50)31(25(3)4)45-33(48)28(43-37(52)54-23-27-16-9-6-10-17-27)18-11-12-20-42-36(51)53-22-26-14-7-5-8-15-26/h5-10,14-17,24-25,28-31H,11-13,18-23H2,1-4H3,(H,42,51)(H,43,52)(H,44,49)(H,45,48)/t28-,29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<0.100	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 leukocyte Elastase				J Med Chem 33: 394-407 (1990) BindingDB Entry DOI: 10.7270/Q26D5RZ5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035500 ((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...) 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)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C30H34ClF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1 (Homo sapiens (Human))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	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 (Homo sapiens (Human))	BDBM50014735 ((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)OCc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H33F3N4O6/c1-14(2)19(20(33)25(26,27)28)31-22(35)18-11-8-12-32(18)23(36)16(4)29-21(34)15(3)30-24(37)38-13-17-9-6-5-7-10-17/h5-7,9-10,14-16,18-19H,8,11-13H2,1-4H3,(H,29,34)(H,30,37)(H,31,35)/t15-,16-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50014735 ((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)OCc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H33F3N4O6/c1-14(2)19(20(33)25(26,27)28)31-22(35)18-11-8-12-32(18)23(36)16(4)29-21(34)15(3)30-24(37)38-13-17-9-6-5-7-10-17/h5-7,9-10,14-16,18-19H,8,11-13H2,1-4H3,(H,29,34)(H,30,37)(H,31,35)/t15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated In vitro for inhibition of human neutrophil elastase				Bioorg Med Chem Lett 2: 1235-1238 (1992) Article DOI: 10.1016/S0960-894X(00)80220-6 BindingDB Entry DOI: 10.7270/Q2DB81SJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50069667 ((S)-3-{[1-((S)-2-{(S)-2-[4-(4-Chloro-benzenesulfon...) Show SMILES COC(=O)C(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C32H38ClN5O10S/c1-17(2)25(26(39)32(45)48-5)36-30(43)24-7-6-16-38(24)31(44)19(4)35-27(40)18(3)34-28(41)20-8-10-21(11-9-20)29(42)37-49(46,47)23-14-12-22(33)13-15-23/h8-15,17-19,24-25H,6-7,16H2,1-5H3,(H,34,41)(H,35,40)(H,36,43)(H,37,42)/t18-,19-,24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description Tested for rate of substrate hydrolysis in the presence of human neutrophil elastase				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035489 ((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-sulfonyl)-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C28H37F5N4O7S/c1-16(2)21(23(38)27(29,30)28(31,32)33)34-25(40)20-6-5-11-37(20)26(41)22(17(3)4)35-24(39)18-7-9-19(10-8-18)45(42,43)36-12-14-44-15-13-36/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,34,40)(H,35,39)/t20-,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035500 ((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...) 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)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C30H34ClF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035528 (Acetic acid (E)-2-[((S)-1-{(S)-2-[4-(4-chloro-benz...) 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(C(C)C)=C(\OC(C)=O)C(F)(F)F Show InChI InChI=1S/C32H36ClF3N4O8S/c1-17(2)25(27(32(34,35)36)48-19(5)41)37-30(44)24-7-6-16-40(24)31(45)26(18(3)4)38-28(42)20-8-10-21(11-9-20)29(43)39-49(46,47)23-14-12-22(33)13-15-23/h8-15,17-18,24,26H,6-7,16H2,1-5H3,(H,37,44)(H,38,42)(H,39,43)/b27-25+/t24-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50281590 (CHEMBL150384 | N-(1-Benzyl-3,3,3-trifluoro-2-oxo-p...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C35H38F8N4O6/c1-18(2)25(28(49)33(36,37)35(41,42)43)45-31(52)24-11-8-16-47(24)32(53)26(19(3)4)46-30(51)22-14-12-21(13-15-22)29(50)44-23(27(48)34(38,39)40)17-20-9-6-5-7-10-20/h5-7,9-10,12-15,18-19,23-26H,8,11,16-17H2,1-4H3,(H,44,50)(H,45,52)(H,46,51)/t23?,24-,25?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its potency to inhibit human neutrophil elastase activity				Bioorg Med Chem Lett 3: 525-530 (1993) Article DOI: 10.1016/S0960-894X(01)81220-8 BindingDB Entry DOI: 10.7270/Q23778NF
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50035488 ((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...) 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)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C31H34ClF5N4O7S/c1-16(2)23(25(42)30(33,34)31(35,36)37)38-28(45)22-6-5-15-41(22)29(46)24(17(3)4)39-26(43)18-7-9-19(10-8-18)27(44)40-49(47,48)21-13-11-20(32)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,38,45)(H,39,43)(H,40,44)/t22-,23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 100 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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
Neutrophil elastase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated In vitro for inhibition of human neutrophil elastase				Bioorg Med Chem Lett 2: 1235-1238 (1992) Article DOI: 10.1016/S0960-894X(00)80220-6 BindingDB Entry DOI: 10.7270/Q2DB81SJ
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Gallus gallus)	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against chicken gizzard smooth muscle calpain				Bioorg Med Chem Lett 9: 139-40 (1999) BindingDB Entry DOI: 10.7270/Q2DN4476
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035498 ((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O6/c1-16(2)21(23(36)28(29,30)31)32-25(38)20-6-5-11-35(20)27(40)22(17(3)4)33-24(37)18-7-9-19(10-8-18)26(39)34-12-14-41-15-13-34/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,32,38)(H,33,37)/t20-,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035498 ((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H37F3N4O6/c1-16(2)21(23(36)28(29,30)31)32-25(38)20-6-5-11-35(20)27(40)22(17(3)4)33-24(37)18-7-9-19(10-8-18)26(39)34-12-14-41-15-13-34/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,32,38)(H,33,37)/t20-,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
S-formylglutathione hydrolase (Sus scrofa)	BDBM50069665 ((E)-2-Acetoxy-3-{[(S)-1-((S)-2-{(S)-2-[4-(4-chloro...) Show SMILES COC(=O)C(\OC(C)=O)=C(/NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C34H40ClN5O11S/c1-18(2)27(28(34(47)50-6)51-21(5)41)38-32(45)26-8-7-17-40(26)33(46)20(4)37-29(42)19(3)36-30(43)22-9-11-23(12-10-22)31(44)39-52(48,49)25-15-13-24(35)14-16-25/h9-16,18-20,26H,7-8,17H2,1-6H3,(H,36,43)(H,37,42)(H,38,45)(H,39,44)/b28-27+/t19-,20-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description pA2 value towards endothelin receptor A was determined as functional ETA antagonism				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair
S-formylglutathione hydrolase (Sus scrofa)	BDBM50069665 ((E)-2-Acetoxy-3-{[(S)-1-((S)-2-{(S)-2-[4-(4-chloro...) Show SMILES COC(=O)C(\OC(C)=O)=C(/NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C34H40ClN5O11S/c1-18(2)27(28(34(47)50-6)51-21(5)41)38-32(45)26-8-7-17-40(26)33(46)20(4)37-29(42)19(3)36-30(43)22-9-11-23(12-10-22)31(44)39-52(48,49)25-15-13-24(35)14-16-25/h9-16,18-20,26H,7-8,17H2,1-6H3,(H,36,43)(H,37,42)(H,38,45)(H,39,44)/b28-27+/t19-,20-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cinc Curated by ChEMBL					Assay Description Tested for inhibition of substrate hydrolysis in the presence of porcine kidney esterase at a concentration of 10 nM				Bioorg Med Chem Lett 8: 63-4 (1999) BindingDB Entry DOI: 10.7270/Q2K936PK
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated In vitro for inhibition of human neutrophil elastase				Bioorg Med Chem Lett 2: 1235-1238 (1992) Article DOI: 10.1016/S0960-894X(00)80220-6 BindingDB Entry DOI: 10.7270/Q2DB81SJ
					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
Neutrophil elastase (Homo sapiens (Human))	BDBM50281589 (5N-(1-benzyl-3,3,3-trifluoro-2-oxopropyl)-1-[3-met...) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C45H54F8N6O8/c1-23(2)32(36(61)43(46,47)45(51,52)53)55-40(65)31-15-11-21-59(31)42(67)34(25(5)6)57-38(63)28-18-16-27(17-19-28)37(62)56-33(24(3)4)41(66)58-20-10-14-30(58)39(64)54-29(35(60)44(48,49)50)22-26-12-8-7-9-13-26/h7-9,12-13,16-19,23-25,29-34H,10-11,14-15,20-22H2,1-6H3,(H,54,64)(H,55,65)(H,56,62)(H,57,63)/t29?,30-,31+,32?,33-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its potency to inhibit human neutrophil elastase activity				Bioorg Med Chem Lett 3: 525-530 (1993) Article DOI: 10.1016/S0960-894X(01)81220-8 BindingDB Entry DOI: 10.7270/Q23778NF
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035535 (Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)F Show InChI InChI=1S/C30H39F3N4O7/c1-17(2)23(25(30(31,32)33)44-19(5)38)34-27(40)22-7-6-12-37(22)29(42)24(18(3)4)35-26(39)20-8-10-21(11-9-20)28(41)36-13-15-43-16-14-36/h8-11,17-18,22,24H,6-7,12-16H2,1-5H3,(H,34,40)(H,35,39)/b25-23+/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50014743 (CHEMBL132171 | N-(1-{2-[2-(1-Benzyl-3,3,3-trifluor...) 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](Cc1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H33F3N4O7/c1-15(30-20(34)11-12-21(35)40-3)23(37)31-16(2)25(39)33-13-7-10-19(33)24(38)32-18(22(36)26(27,28)29)14-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-14H2,1-3H3,(H,30,34)(H,31,37)(H,32,38)/t15-,16-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50035492 ((S)-1-{(S)-3-Methyl-2-[4-(2-methyl-4-morpholin-4-y...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)C(C)CCN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C33H45F5N4O6/c1-19(2)25(28(44)32(34,35)33(36,37)38)39-30(46)24-7-6-13-42(24)31(47)26(20(3)4)40-29(45)23-10-8-22(9-11-23)27(43)21(5)12-14-41-15-17-48-18-16-41/h8-11,19-21,24-26H,6-7,12-18H2,1-5H3,(H,39,46)(H,40,45)/t21?,24-,25?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035494 (CHEMBL429359 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C29H38F5N3O6/c1-15(2)20(22(38)28(30,31)29(32,33)34)35-24(40)19-9-8-14-37(19)25(41)21(16(3)4)36-23(39)17-10-12-18(13-11-17)26(42)43-27(5,6)7/h10-13,15-16,19-21H,8-9,14H2,1-7H3,(H,35,40)(H,36,39)/t19-,20?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035485 ((S)-1-((S)-3-Methyl-2-{4-[4-(morpholine-4-carbonyl...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C34H45F5N6O7/c1-20(2)25(27(46)33(35,36)34(37,38)39)40-29(48)24-6-5-11-45(24)31(50)26(21(3)4)41-28(47)22-7-9-23(10-8-22)30(49)42-12-14-43(15-13-42)32(51)44-16-18-52-19-17-44/h7-10,20-21,24-26H,5-6,11-19H2,1-4H3,(H,40,48)(H,41,47)/t24-,25?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035495 ((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035532 (Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(C)=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C31H39F5N4O7/c1-17(2)23(25(47-19(5)41)30(32,33)31(34,35)36)37-27(43)22-7-6-12-40(22)29(45)24(18(3)4)38-26(42)20-8-10-21(11-9-20)28(44)39-13-15-46-16-14-39/h8-11,17-18,22,24H,6-7,12-16H2,1-5H3,(H,37,43)(H,38,42)/b25-23+/t22-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035495 ((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035530 (CHEMBL74651 | Propionic acid (E)-3-methyl-2-[((S)-...) Show SMILES CCC(=O)O\C(=C(\NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)C)C(C)C)C(F)(F)C(F)(F)F Show InChI InChI=1S/C32H41F5N4O7/c1-6-23(42)48-26(31(33,34)32(35,36)37)24(18(2)3)38-28(44)22-8-7-13-41(22)30(46)25(19(4)5)39-27(43)20-9-11-21(12-10-20)29(45)40-14-16-47-17-15-40/h9-12,18-19,22,25H,6-8,13-17H2,1-5H3,(H,38,44)(H,39,43)/b26-24+/t22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035531 (CHEMBL74332 | Isobutyric acid (E)-3-methyl-2-[((S)...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N\C(C(C)C)=C(\OC(=O)C(C)C)C(F)(F)C(F)(F)F Show InChI InChI=1S/C33H43F5N4O7/c1-18(2)24(26(49-31(47)20(5)6)32(34,35)33(36,37)38)39-28(44)23-8-7-13-42(23)30(46)25(19(3)4)40-27(43)21-9-11-22(12-10-21)29(45)41-14-16-48-17-15-41/h9-12,18-20,23,25H,7-8,13-17H2,1-6H3,(H,39,44)(H,40,43)/b26-24+/t23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound for purified Human neutrophil elastase was determined in the presence of pig liver esterase, in vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035487 (CHEMBL140639 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(nc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C28H36F5N5O6/c1-15(2)20(22(39)27(29,30)28(31,32)33)35-24(41)19-6-5-9-38(19)26(43)21(16(3)4)36-23(40)17-7-8-18(34-14-17)25(42)37-10-12-44-13-11-37/h7-8,14-16,19-21H,5-6,9-13H2,1-4H3,(H,35,41)(H,36,40)/t19-,20?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					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
Neutrophil elastase (Homo sapiens (Human))	BDBM50035502 ((S)-1-[(S)-3-Methyl-2-(3-pyridin-3-yl-propionylami...) Show SMILES CC(C)[C@H](NC(=O)CCc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C25H33F5N4O4/c1-14(2)19(21(36)24(26,27)25(28,29)30)33-22(37)17-8-6-12-34(17)23(38)20(15(3)4)32-18(35)10-9-16-7-5-11-31-13-16/h5,7,11,13-15,17,19-20H,6,8-10,12H2,1-4H3,(H,32,35)(H,33,37)/t17-,19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					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
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080206 (CHEMBL311735 | [1-((4S,5R)-4-Benzyl-5-hydroxy-oxaz...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CO[C@@H](O)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C23H28N2O5/c1-16(2)20(24-23(28)29-14-18-11-7-4-8-12-18)21(26)25-15-30-22(27)19(25)13-17-9-5-3-6-10-17/h3-12,16,19-20,22,27H,13-15H2,1-2H3,(H,24,28)/t19-,20?,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
					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
Neutrophil elastase (Homo sapiens (Human))	BDBM50035505 (CHEMBL140763 | N-{(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C25H30F5N3O6/c1-12(2)17(19(34)24(26,27)25(28,29)30)31-21(36)16-6-5-11-33(16)22(37)18(13(3)4)32-20(35)14-7-9-15(10-8-14)23(38)39/h7-10,12-13,16-18H,5-6,11H2,1-4H3,(H,31,36)(H,32,35)(H,38,39)/t16-,17?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035497 (CHEMBL141423 | Morpholine-4-carboxylic acid (4-{(S...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(NC(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C29H38F5N5O6/c1-16(2)21(23(40)28(30,31)29(32,33)34)36-25(42)20-6-5-11-39(20)26(43)22(17(3)4)37-24(41)18-7-9-19(10-8-18)35-27(44)38-12-14-45-15-13-38/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,44)(H,36,42)(H,37,41)/t20-,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50280125 ((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)NCC(=O)OC(C)(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C23H37F3N4O6/c1-12(2)17(18(32)23(24,25)26)29-20(34)15-9-8-10-30(15)21(35)14(4)28-19(33)13(3)27-11-16(31)36-22(5,6)7/h12-15,17,27H,8-11H2,1-7H3,(H,28,33)(H,29,34)/t13-,14-,15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated In vitro for inhibition of human neutrophil elastase				Bioorg Med Chem Lett 2: 1235-1238 (1992) Article DOI: 10.1016/S0960-894X(00)80220-6 BindingDB Entry DOI: 10.7270/Q2DB81SJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035486 ((S)-1-{(S)-3-Methyl-2-[3-methyl-2-(morpholine-4-ca...) Show SMILES CC(C)[C@H](NC(=O)C(C(C)C)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C27H41F5N4O6/c1-14(2)18(24(40)35-10-12-42-13-11-35)23(39)34-20(16(5)6)25(41)36-9-7-8-17(36)22(38)33-19(15(3)4)21(37)26(28,29)27(30,31)32/h14-20H,7-13H2,1-6H3,(H,33,38)(H,34,39)/t17-,18?,19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 1 (Homo sapiens (Human))	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50281591 (CHEMBL345477 | {(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-p...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C22H34F5N3O5/c1-11(2)14(16(31)21(23,24)22(25,26)27)28-17(32)13-9-8-10-30(13)18(33)15(12(3)4)29-19(34)35-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,28,32)(H,29,34)/t13-,14?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its potency to inhibit human neutrophil elastase activity				Bioorg Med Chem Lett 3: 525-530 (1993) Article DOI: 10.1016/S0960-894X(01)81220-8 BindingDB Entry DOI: 10.7270/Q23778NF
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035501 ((S)-1-{(S)-3-Methyl-2-[(tetrahydro-pyran-4-carbony...) Show SMILES CC(C)[C@H](NC(=O)C1CCOCC1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C23H34F5N3O5/c1-12(2)16(18(32)22(24,25)23(26,27)28)29-20(34)15-6-5-9-31(15)21(35)17(13(3)4)30-19(33)14-7-10-36-11-8-14/h12-17H,5-11H2,1-4H3,(H,29,34)(H,30,33)/t15-,16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50014578 (3-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)...) Show SMILES COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C24H28N2O6/c1-16(2)20(26-24(30)32-15-18-12-8-5-9-13-18)22(28)25-19(21(27)23(29)31-3)14-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,25,28)(H,26,30)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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 Inhibition of alpha-chymotrypsin				J Med Chem 33: 11-3 (1990) BindingDB Entry DOI: 10.7270/Q2K93847
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50014579 (3-(2-Benzyloxycarbonylamino-3-methyl-butyrylamino)...) Show SMILES CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C25H30N2O6/c1-4-32-24(30)22(28)20(15-18-11-7-5-8-12-18)26-23(29)21(17(2)3)27-25(31)33-16-19-13-9-6-10-14-19/h5-14,17,20-21H,4,15-16H2,1-3H3,(H,26,29)(H,27,31)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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 Inhibition of alpha-chymotrypsin				J Med Chem 33: 11-3 (1990) BindingDB Entry DOI: 10.7270/Q2K93847
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035499 ((S)-1-[(S)-3-Methyl-2-(2-morpholin-4-yl-acetylamin...) Show SMILES Cl.CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C23H35F5N4O5.ClH/c1-13(2)17(19(34)22(24,25)23(26,27)28)30-20(35)15-6-5-7-32(15)21(36)18(14(3)4)29-16(33)12-31-8-10-37-11-9-31;/h13-15,17-18H,5-12H2,1-4H3,(H,29,33)(H,30,35);1H/t15-,17-,18-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase was determined at a dose of 50 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035504 ((S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)-pyrrol...) Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C24H30F5N3O4/c1-13(2)17(19(33)23(25,26)24(27,28)29)30-21(35)16-11-8-12-32(16)22(36)18(14(3)4)31-20(34)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,30,35)(H,31,34)/t16-,17?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of human neutrophil elastase				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair

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