Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'gomes' and Initial = 'bc'   

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))	BDBM50061028 ((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)CNCc1ccccc1 Show InChI InChI=1S/C32H42F2N4O5/c1-20(2)26(28(39)32(33,34)19-35-18-22-10-7-6-8-11-22)36-30(41)25-12-9-17-38(25)31(42)27(21(3)4)37-29(40)23-13-15-24(43-5)16-14-23/h6-8,10-11,13-16,20-21,25-27,35H,9,12,17-19H2,1-5H3,(H,36,41)(H,37,40)/t25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061037 (CHEMBL302961 | {(S)-1-[(S)-2-((S)-3-Carbamoyl-3,3-...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(N)=O Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(28)35)29-21(33)17-11-8-12-31(17)22(34)19(15(3)4)30-24(36)37-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H2,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50283099 (((S)-2,2-Difluoro-5-methyl-4-{[(S)-1-((S)-3-methyl...) Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)OC(C)(C)C Show InChI InChI=1S/C29H42F2N4O7/c1-17(2)21(23(36)29(30,31)16-32-26(39)42-28(5,6)7)33-24(37)20-14-11-15-35(20)25(38)22(18(3)4)34-27(40)41-19-12-9-8-10-13-19/h8-10,12-13,17-18,20-22H,11,14-16H2,1-7H3,(H,32,39)(H,33,37)(H,34,40)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50283102 ((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)C(N)=O Show InChI InChI=1S/C25H34F2N4O6/c1-13(2)18(20(32)25(26,27)24(28)36)29-22(34)17-7-6-12-31(17)23(35)19(14(3)4)30-21(33)15-8-10-16(37-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H2,28,36)(H,29,34)(H,30,33)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035948 (2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-7-5-4-6-8-18)14-13-21(26(34)38)33-41(39,40)20-11-9-19(10-12-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035948 (2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-7-5-4-6-8-18)14-13-21(26(34)38)33-41(39,40)20-11-9-19(10-12-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061054 (CHEMBL110125 | CHEMBL66128 | {(S)-1-[(S)-2-((S)-4-...) Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CN Show InChI InChI=1S/C24H34F2N4O5/c1-14(2)18(20(31)24(25,26)13-27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13,27H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061036 (CHEMBL304114 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...) Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C25H34F2N4O6/c1-14(2)18(20(32)25(26,27)23(35)28-5)29-21(33)17-12-9-13-31(17)22(34)19(15(3)4)30-24(36)37-16-10-7-6-8-11-16/h6-8,10-11,14-15,17-19H,9,12-13H2,1-5H3,(H,28,35)(H,29,33)(H,30,36)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50283092 (((S)-4-{[(S)-1-((S)-2-Benzyloxycarbonylamino-3-met...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNC(=O)OC(C)(C)C Show InChI InChI=1S/C30H44F2N4O7/c1-18(2)22(24(37)30(31,32)17-33-27(40)43-29(5,6)7)34-25(38)21-14-11-15-36(21)26(39)23(19(3)4)35-28(41)42-16-20-12-9-8-10-13-20/h8-10,12-13,18-19,21-23H,11,14-17H2,1-7H3,(H,33,40)(H,34,38)(H,35,41)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037360 (2-(2-Oxo-6-phenyl-3-phenylmethanesulfonylamino-2H-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H26F3N3O5S/c1-17(2)23(24(34)26(27,28)29)30-22(33)15-32-21(19-11-7-4-8-12-19)14-13-20(25(32)35)31-38(36,37)16-18-9-5-3-6-10-18/h3-14,17,23,31H,15-16H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061023 (CHEMBL323231 | CHEMBL68577 | {(S)-1-[(S)-2-((S)-4-...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C32H42F2N4O5/c1-21(2)26(28(39)32(33,34)20-35-18-23-12-7-5-8-13-23)36-29(40)25-16-11-17-38(25)30(41)27(22(3)4)37-31(42)43-19-24-14-9-6-10-15-24/h5-10,12-15,21-22,25-27,35H,11,16-20H2,1-4H3,(H,36,40)(H,37,42)/t25-,26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037348 (1N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)-2-(3-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)NCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H27F3N4O5S/c1-17(2)23(24(35)26(27,28)29)31-22(34)16-33-21(19-11-7-4-8-12-19)14-13-20(25(33)36)32-39(37,38)30-15-18-9-5-3-6-10-18/h3-14,17,23,30,32H,15-16H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50058344 (CHEMBL417935 | {(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-t...) Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C23H30F3N3O5/c1-13(2)17(19(30)23(24,25)26)27-20(31)16-11-8-12-29(16)21(32)18(14(3)4)28-22(33)34-15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES CC(C)[C@H](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/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50036058 (CHEMBL354883 | benzyl (S)-1-((S)-2-(((S)-1,1,1-tri...) Show SMILES CC(C)[C@H](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/C24H32F3N3O5/c1-14(2)18(20(31)24(25,26)27)28-21(32)17-11-8-12-30(17)22(33)19(15(3)4)29-23(34)35-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13H2,1-4H3,(H,28,32)(H,29,34)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061038 (CHEMBL308415 | {(S)-1-[(S)-2-((S)-3,3-Difluoro-1-i...) Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C26H36F2N4O6/c1-15(2)19(21(33)26(27,28)24(36)29-5)30-22(34)18-12-9-13-32(18)23(35)20(16(3)4)31-25(37)38-14-17-10-7-6-8-11-17/h6-8,10-11,15-16,18-20H,9,12-14H2,1-5H3,(H,29,36)(H,30,34)(H,31,37)/t18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061048 ((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...) Show SMILES CNC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C)C(C)C Show InChI InChI=1S/C26H36F2N4O6/c1-14(2)19(21(33)26(27,28)25(37)29-5)30-23(35)18-8-7-13-32(18)24(36)20(15(3)4)31-22(34)16-9-11-17(38-6)12-10-16/h9-12,14-15,18-20H,7-8,13H2,1-6H3,(H,29,37)(H,30,35)(H,31,34)/t18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50283100 (CHEMBL302123 | [(S)-2,2-Difluoro-4-({(S)-1-[(S)-2-...) 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)CNC(=O)OC(C)(C)C Show InChI InChI=1S/C30H44F2N4O7/c1-17(2)22(24(37)30(31,32)16-33-28(41)43-29(5,6)7)34-26(39)21-10-9-15-36(21)27(40)23(18(3)4)35-25(38)19-11-13-20(42-8)14-12-19/h11-14,17-18,21-23H,9-10,15-16H2,1-8H3,(H,33,41)(H,34,39)(H,35,38)/t21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037338 (CHEMBL325234 | {6-(3-Chloro-phenyl)-2-oxo-1-[(3,3,...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccc(Cl)c1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-9-6-10-19(28)13-18)12-11-20(25(34)37)32-26(38)39-15-17-7-4-3-5-8-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037340 (CHEMBL112880 | {6-(3,5-Dimethoxy-phenyl)-2-oxo-1-[...) Show SMILES COc1cc(OC)cc(c1)-c1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C29H30F3N3O7/c1-17(2)25(26(37)29(30,31)32)34-24(36)15-35-23(19-12-20(40-3)14-21(13-19)41-4)11-10-22(27(35)38)33-28(39)42-16-18-8-6-5-7-9-18/h5-14,17,25H,15-16H2,1-4H3,(H,33,39)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037364 (CHEMBL113187 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2cc(C)nc(C)c2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C28H29F3N4O5/c1-16(2)24(25(37)28(29,30)31)34-23(36)14-35-22(20-8-6-5-7-9-20)11-10-21(26(35)38)33-27(39)40-15-19-12-17(3)32-18(4)13-19/h5-13,16,24H,14-15H2,1-4H3,(H,33,39)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50061041 (CHEMBL108504 | CHEMBL305259 | {(S)-1-[(S)-2-((S)-4...) Show SMILES CC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)CNCc1ccccc1 Show InChI InChI=1S/C31H40F2N4O5/c1-20(2)25(27(38)31(32,33)19-34-18-22-12-7-5-8-13-22)35-28(39)24-16-11-17-37(24)29(40)26(21(3)4)36-30(41)42-23-14-9-6-10-15-23/h5-10,12-15,20-21,24-26,34H,11,16-19H2,1-4H3,(H,35,39)(H,36,41)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase was determined				Bioorg Med Chem Lett 4: 2175-2178 (1994) Article DOI: 10.1016/S0960-894X(00)80066-9 BindingDB Entry DOI: 10.7270/Q2B56JP9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037333 (CHEMBL113132 | {6-(3-tert-Butoxy-phenyl)-2-oxo-1-[...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccc(OC(C)(C)C)c1)C(=O)C(F)(F)F Show InChI InChI=1S/C31H34F3N3O6/c1-19(2)26(27(39)31(32,33)34)36-25(38)17-37-24(21-12-9-13-22(16-21)43-30(3,4)5)15-14-23(28(37)40)35-29(41)42-18-20-10-7-6-8-11-20/h6-16,19,26H,17-18H2,1-5H3,(H,35,41)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037344 (3-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2cccc(c2)C(O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-8-4-3-5-9-18)12-11-20(25(34)37)32-27(40)41-15-17-7-6-10-19(13-17)26(38)39/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037327 (CHEMBL113321 | {6-(3-Hydroxy-phenyl)-2-oxo-1-[(3,3...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccc(O)c1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H26F3N3O6/c1-16(2)23(24(36)27(28,29)30)32-22(35)14-33-21(18-9-6-10-19(34)13-18)12-11-20(25(33)37)31-26(38)39-15-17-7-4-3-5-8-17/h3-13,16,23,34H,14-15H2,1-2H3,(H,31,38)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037341 (4-{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccc(cc2)C(O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-6-4-3-5-7-18)13-12-20(25(34)37)32-27(40)41-15-17-8-10-19(11-9-17)26(38)39/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035944 (2-(3-Benzenesulfonylamino-2-oxo-6-phenyl-2H-pyridi...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H24F3N3O5S/c1-16(2)22(23(33)25(26,27)28)29-21(32)15-31-20(17-9-5-3-6-10-17)14-13-19(24(31)34)30-37(35,36)18-11-7-4-8-12-18/h3-14,16,22,30H,15H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035944 (2-(3-Benzenesulfonylamino-2-oxo-6-phenyl-2H-pyridi...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H24F3N3O5S/c1-16(2)22(23(33)25(26,27)28)29-21(32)15-31-20(17-9-5-3-6-10-17)14-13-19(24(31)34)30-37(35,36)18-11-7-4-8-12-18/h3-14,16,22,30H,15H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037325 (CHEMBL113261 | {6-(4-Chloro-phenyl)-2-oxo-1-[(3,3,...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(Cl)cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-8-10-19(28)11-9-18)13-12-20(25(34)37)32-26(38)39-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037371 (2-[2-Oxo-6-phenyl-3-(2-pyridin-2-yl-ethanesulfonyl...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)CCc2ccccn2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H27F3N4O5S/c1-17(2)23(24(35)26(27,28)29)31-22(34)16-33-21(18-8-4-3-5-9-18)12-11-20(25(33)36)32-39(37,38)15-13-19-10-6-7-14-30-19/h3-12,14,17,23,32H,13,15-16H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037372 (2-[3-(3-Benzyl-ureido)-2-oxo-6-phenyl-2H-pyridin-1...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)NCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O4/c1-17(2)23(24(36)27(28,29)30)33-22(35)16-34-21(19-11-7-4-8-12-19)14-13-20(25(34)37)32-26(38)31-15-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,33,35)(H2,31,32,38)	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
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037375 (CHEMBL275043 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccncc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O5/c1-16(2)22(23(35)26(27,28)29)32-21(34)14-33-20(18-6-4-3-5-7-18)9-8-19(24(33)36)31-25(37)38-15-17-10-12-30-13-11-17/h3-13,16,22H,14-15H2,1-2H3,(H,31,37)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035945 ((S)-1-[(S)-2-(4-Methoxy-benzenesulfonylamino)-3-me...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C23H32F3N3O6S/c1-13(2)18(20(30)23(24,25)26)27-21(31)17-7-6-12-29(17)22(32)19(14(3)4)28-36(33,34)16-10-8-15(35-5)9-11-16/h8-11,13-14,17-19,28H,6-7,12H2,1-5H3,(H,27,31)/t17-,18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035951 (2-[3-(4-Methoxy-benzenesulfonylamino)-2-oxo-6-phen...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O Show InChI InChI=1S/C26H26F3N3O6S/c1-16(2)23(24(34)26(27,28)29)30-22(33)15-32-21(17-7-5-4-6-8-17)14-13-20(25(32)35)31-39(36,37)19-11-9-18(38-3)10-12-19/h4-14,16,23,31H,15H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035951 (2-[3-(4-Methoxy-benzenesulfonylamino)-2-oxo-6-phen...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O Show InChI InChI=1S/C26H26F3N3O6S/c1-16(2)23(24(34)26(27,28)29)30-22(33)15-32-21(17-7-5-4-6-8-17)14-13-20(25(32)35)31-39(36,37)19-11-9-18(38-3)10-12-19/h4-14,16,23,31H,15H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037339 (CHEMBL113171 | {6-(4-Methoxy-phenyl)-2-oxo-1-[(3,3...) Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H28F3N3O6/c1-17(2)24(25(36)28(29,30)31)33-23(35)15-34-22(19-9-11-20(39-3)12-10-19)14-13-21(26(34)37)32-27(38)40-16-18-7-5-4-6-8-18/h4-14,17,24H,15-16H2,1-3H3,(H,32,38)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037361 (2-(3-Ethylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-...) Show SMILES CCNc1ccc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O Show InChI InChI=1S/C21H24F3N3O3/c1-4-25-15-10-11-16(14-8-6-5-7-9-14)27(20(15)30)12-17(28)26-18(13(2)3)19(29)21(22,23)24/h5-11,13,18,25H,4,12H2,1-3H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037354 (CHEMBL113905 | {2-Oxo-6-phenyl-1-[(3,3,3-trifluoro...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccn2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O5/c1-16(2)22(23(35)26(27,28)29)32-21(34)14-33-20(17-8-4-3-5-9-17)12-11-19(24(33)36)31-25(37)38-15-18-10-6-7-13-30-18/h3-13,16,22H,14-15H2,1-2H3,(H,31,37)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037335 (CHEMBL418822 | {6-Oxo-1-[(3,3,3-trifluoro-1-isopro...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1cccnc1)C(=O)C(F)(F)F Show InChI InChI=1S/C26H25F3N4O5/c1-16(2)22(23(35)26(27,28)29)32-21(34)14-33-20(18-9-6-12-30-13-18)11-10-19(24(33)36)31-25(37)38-15-17-7-4-3-5-8-17/h3-13,16,22H,14-15H2,1-2H3,(H,31,37)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037355 (2-(3-Methanesulfonylamino-2-oxo-6-phenyl-2H-pyridi...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(C)(=O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C20H22F3N3O5S/c1-12(2)17(18(28)20(21,22)23)24-16(27)11-26-15(13-7-5-4-6-8-13)10-9-14(19(26)29)25-32(3,30)31/h4-10,12,17,25H,11H2,1-3H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035947 (2-{3-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-be...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C32H28ClF3N4O8S2/c1-19(2)28(29(42)32(34,35)36)37-27(41)18-40-26(20-6-4-3-5-7-20)17-16-25(31(40)44)38-49(45,46)23-12-8-21(9-13-23)30(43)39-50(47,48)24-14-10-22(33)11-15-24/h3-17,19,28,38H,18H2,1-2H3,(H,37,41)(H,39,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037351 (2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2cccc(NC(C)=O)c2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-8-5-4-6-9-18)13-12-21(26(34)38)33-41(39,40)20-11-7-10-19(14-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037336 (CHEMBL432961 | {6-(2-Chloro-phenyl)-2-oxo-1-[(3,3,...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1Cl)C(=O)C(F)(F)F Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-10-6-7-11-19(18)28)13-12-20(25(34)37)32-26(38)39-15-17-8-4-3-5-9-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037359 (4-({2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)Cc2ccc(cc2)C(O)=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C28H26F3N3O6/c1-16(2)24(25(37)28(29,30)31)33-23(36)15-34-21(18-6-4-3-5-7-18)13-12-20(26(34)38)32-22(35)14-17-8-10-19(11-9-17)27(39)40/h3-13,16,24H,14-15H2,1-2H3,(H,32,35)(H,33,36)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50037343 (2-[2-Oxo-6-phenyl-3-(pyridin-4-ylmethanesulfonylam...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccncc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C25H25F3N4O5S/c1-16(2)22(23(34)25(26,27)28)30-21(33)14-32-20(18-6-4-3-5-7-18)9-8-19(24(32)35)31-38(36,37)15-17-10-12-29-13-11-17/h3-13,16,22,31H,14-15H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair

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