Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'farr' and Initial = 'ra'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037811 (CHEMBL123016 | {(S)-1-[(S)-3-Benzylcarbamoyl-1-(4-...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C38H39F2N3O6/c1-26(2)33(43-37(47)49-25-30-16-10-5-11-17-30)35(45)42-32(34(44)38(39,40)36(46)41-23-28-12-6-3-7-13-28)22-27-18-20-31(21-19-27)48-24-29-14-8-4-9-15-29/h3-21,26,32-33H,22-25H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)/t32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	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 Compound was evaluated in vitro for the ability to inhibit HIV-protease.				J Med Chem 37: 3684-92 (1994) BindingDB Entry DOI: 10.7270/Q2ZW1JZT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065147 ((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)C(F)(F)F Show InChI InChI=1S/C30H37F7N4O6/c1-16(2)21(23(42)28(31,32)29(33,34)30(35,36)37)38-25(44)20-6-5-11-41(20)27(46)22(17(3)4)39-24(43)18-7-9-19(10-8-18)26(45)40-12-14-47-15-13-40/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,38,44)(H,39,43)/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 PubMed	18	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50037812 (CHEMBL331994 | MDL-104168 | N-Benzyl-2,2-difluoro-...) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)COc2ccc(C[C@H](NC1=O)C(=O)C(F)(F)C(=O)NCc1ccccc1)cc2 Show InChI InChI=1S/C27H30F2N4O6/c1-16(2)23-25(37)32-20(24(36)27(28,29)26(38)31-13-18-6-4-3-5-7-18)12-17-8-10-19(11-9-17)39-15-22(35)30-14-21(34)33-23/h3-11,16,20,23H,12-15H2,1-2H3,(H,30,35)(H,31,38)(H,32,37)(H,33,34)/t20-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	20	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 Compound was evaluated in vitro for the ability to inhibit HIV-protease.				J Med Chem 37: 3684-92 (1994) BindingDB Entry DOI: 10.7270/Q2ZW1JZT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065158 ((R)-4-Benzyloxy-1-{(S)-3-methyl-2-[4-(morpholine-4...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CC(C[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)OCc1ccccc1 Show InChI InChI=1S/C36H43F5N4O7/c1-21(2)28(30(46)35(37,38)36(39,40)41)42-32(48)27-18-26(52-20-23-8-6-5-7-9-23)19-45(27)34(50)29(22(3)4)43-31(47)24-10-12-25(13-11-24)33(49)44-14-16-51-17-15-44/h5-13,21-22,26-29H,14-20H2,1-4H3,(H,42,48)(H,43,47)/t26?,27-,28?,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					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	Article PubMed	20	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065157 ((R)-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)N1CC[C@@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C28H35F5N4O6/c1-15(2)20(22(38)27(29,30)28(31,32)33)34-24(40)19-9-10-37(19)26(42)21(16(3)4)35-23(39)17-5-7-18(8-6-17)25(41)36-11-13-43-14-12-36/h5-8,15-16,19-21H,9-14H2,1-4H3,(H,34,40)(H,35,39)/t19-,20?,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065161 (Acetic acid 1-{(S)-3-methyl-2-[4-(morpholine-4-car...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CC(CC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F)OC(C)=O Show InChI InChI=1S/C31H39F5N4O8/c1-16(2)23(25(42)30(32,33)31(34,35)36)37-27(44)22-14-21(48-18(5)41)15-40(22)29(46)24(17(3)4)38-26(43)19-6-8-20(9-7-19)28(45)39-10-12-47-13-11-39/h6-9,16-17,21-24H,10-15H2,1-5H3,(H,37,44)(H,38,43)/t21?,22?,23?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065163 ((R)-3-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CSC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C28H35F5N4O6S/c1-15(2)20(22(38)27(29,30)28(31,32)33)34-24(40)19-13-44-14-37(19)26(42)21(16(3)4)35-23(39)17-5-7-18(8-6-17)25(41)36-9-11-43-12-10-36/h5-8,15-16,19-21H,9-14H2,1-4H3,(H,34,40)(H,35,39)/t19-,20?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	70	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065155 (2-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzo...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C34H39F5N4O6/c1-19(2)26(28(44)33(35,36)34(37,38)39)40-30(46)25-17-23-7-5-6-8-24(23)18-43(25)32(48)27(20(3)4)41-29(45)21-9-11-22(12-10-21)31(47)42-13-15-49-16-14-42/h5-12,19-20,25-27H,13-18H2,1-4H3,(H,40,46)(H,41,45)/t25?,26?,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	100	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065154 (4-Hydroxy-1-{(S)-3-methyl-2-[4-(morpholine-4-carbo...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CC(O)CC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C29H37F5N4O7/c1-15(2)21(23(40)28(30,31)29(32,33)34)35-25(42)20-13-19(39)14-38(20)27(44)22(16(3)4)36-24(41)17-5-7-18(8-6-17)26(43)37-9-11-45-12-10-37/h5-8,15-16,19-22,39H,9-14H2,1-4H3,(H,35,42)(H,36,41)/t19?,20?,21?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065146 (1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-benzo...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H39F5N4O6/c1-17(2)22(24(40)29(31,32)30(33,34)35)36-26(42)21-7-5-6-12-39(21)28(44)23(18(3)4)37-25(41)19-8-10-20(11-9-19)27(43)38-13-15-45-16-14-38/h8-11,17-18,21-23H,5-7,12-16H2,1-4H3,(H,36,42)(H,37,41)/t21?,22?,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065164 ((S)-1-{(R)-3,3-Dimethyl-2-[4-(morpholine-4-carbony...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H39F5N4O6/c1-17(2)21(23(40)29(31,32)30(33,34)35)36-25(42)20-7-6-12-39(20)27(44)22(28(3,4)5)37-24(41)18-8-10-19(11-9-18)26(43)38-13-15-45-16-14-38/h8-11,17,20-22H,6-7,12-16H2,1-5H3,(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 Similars	Article PubMed	240	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065156 ((S)-1-{(R)-3,3-Dimethyl-2-[4-(morpholine-4-carbony...) Show SMILES CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H39F5N4O6/c1-17(2)21(23(40)29(31,32)30(33,34)35)36-25(42)20-7-6-12-39(20)27(44)22(28(3,4)5)37-24(41)18-8-10-19(11-9-18)26(43)38-13-15-45-16-14-38/h8-11,17,20-22H,6-7,12-16H2,1-5H3,(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 Similars	Article PubMed	340	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065162 ((S)-1-{(R)-3,3-Dimethyl-2-[4-(morpholine-4-carbony...) Show SMILES CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(C)(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C30H39F5N4O6/c1-17(2)21(23(40)29(31,32)30(33,34)35)36-25(42)20-7-6-12-39(20)27(44)22(28(3,4)5)37-24(41)18-8-10-19(11-9-18)26(43)38-13-15-45-16-14-38/h8-11,17,20-22H,6-7,12-16H2,1-5H3,(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 Similars	Article PubMed	1.10E+3	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065153 ((S)-1-[3-Methyl-2-(2-oxo-2-phenyl-ethyl)-butyryl]-...) Show SMILES CC(C)C(CC(=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/C25H31F5N2O4/c1-14(2)17(13-19(33)16-9-6-5-7-10-16)23(36)32-12-8-11-18(32)22(35)31-20(15(3)4)21(34)24(26,27)25(28,29)30/h5-7,9-10,14-15,17-18,20H,8,11-13H2,1-4H3,(H,31,35)/t17?,18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065151 ((S)-1-{(R)-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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065150 ((S)-1-[3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-b...) Show SMILES CC(C)C(CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C23H34F5N3O5/c1-13(2)15(12-17(32)30-8-10-36-11-9-30)21(35)31-7-5-6-16(31)20(34)29-18(14(3)4)19(33)22(24,25)23(26,27)28/h13-16,18H,5-12H2,1-4H3,(H,29,34)/t15?,16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80E+3	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065148 (4-(Morpholine-4-carbonyl)-N-{(S)-2-oxo-1-[(S)-1-(3...) Show SMILES CC(C)C(NC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ccc(cc2)C(=O)N2CCOCC2)C1=O)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C26H31F5N4O6/c1-14(2)19(20(36)25(27,28)26(29,30)31)33-21(37)15(3)35-9-8-18(24(35)40)32-22(38)16-4-6-17(7-5-16)23(39)34-10-12-41-13-11-34/h4-7,14-15,18-19H,8-13H2,1-3H3,(H,32,38)(H,33,37)/t15-,18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065159 ((S)-1-[3-Methyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-b...) Show SMILES CC(C)C(CC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C23H34F5N3O5/c1-13(2)15(12-17(32)30-8-10-36-11-9-30)21(35)31-7-5-6-16(31)20(34)29-18(14(3)4)19(33)22(24,25)23(26,27)28/h13-16,18H,5-12H2,1-4H3,(H,29,34)/t15?,16-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065160 (4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(3,3,4,4...) Show SMILES CC(C)C(NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(cc2)C(=O)N2CCOCC2)C1=O)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C26H31F5N4O6/c1-15(2)20(21(37)25(27,28)26(29,30)31)33-19(36)14-35-9-3-4-18(24(35)40)32-22(38)16-5-7-17(8-6-16)23(39)34-10-12-41-13-11-34/h5-8,15,18,20H,3-4,9-14H2,1-2H3,(H,32,38)(H,33,36)/t18-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.50E+4	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065149 (4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(3,3,4,4...) Show SMILES CC(C)C(NC(=O)CN1CC[C@@H](NC(=O)c2ccc(cc2)C(=O)N2CCOCC2)C1=O)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C25H29F5N4O6/c1-14(2)19(20(36)24(26,27)25(28,29)30)32-18(35)13-34-8-7-17(23(34)39)31-21(37)15-3-5-16(6-4-15)22(38)33-9-11-40-12-10-33/h3-6,14,17,19H,7-13H2,1-2H3,(H,31,37)(H,32,35)/t17-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+5	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50065152 (4-(Morpholine-4-carbonyl)-N-{(R)-2-oxo-1-[(S)-1-(3...) Show SMILES CC(C)C(NC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2ccc(cc2)C(=O)N2CCOCC2)C1=O)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C26H31F5N4O6/c1-14(2)19(20(36)25(27,28)26(29,30)31)33-21(37)15(3)35-9-8-18(24(35)40)32-22(38)16-4-6-17(7-5-16)23(39)34-10-12-41-13-11-34/h4-7,14-15,18-19H,8-13H2,1-3H3,(H,32,38)(H,33,37)/t15-,18+,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+6	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 Inhibition of human neutrophil elastase in hamster lungs following 25 mg/kg pre-treatment before instillation of elastase.				J Med Chem 41: 2461-80 (1998) Article DOI: 10.1021/jm970812e BindingDB Entry DOI: 10.7270/Q23X85S8
					More data for this Ligand-Target Pair