Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'huber' and Initial = 'ew'   

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))	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
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
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))	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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50279944 ((R)-2-(2-Carboxymethyl-3-oxo-2,3,4,5-tetrahydro-1H...) Show SMILES OC(=O)CN1Cc2ccccc2CC(N[C@H](CCc2ccccc2)C(O)=O)C1=O Show InChI InChI=1S/C22H24N2O5/c25-20(26)14-24-13-17-9-5-4-8-16(17)12-19(21(24)27)23-18(22(28)29)11-10-15-6-2-1-3-7-15/h1-9,18-19,23H,10-14H2,(H,25,26)(H,28,29)/t18-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Inhibitory constant of the compound was tested angiotensin converting enzyme				Bioorg Med Chem Lett 1: 309-312 (1991) Article DOI: 10.1016/S0960-894X(01)80814-3 BindingDB Entry DOI: 10.7270/Q208657V
					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
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
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
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))	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 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))	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))	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))	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))	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))	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
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
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))	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
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
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
Neutrophil elastase (Homo sapiens (Human))	BDBM50035493 ((S)-1-[(S)-3-Methyl-2-(3-morpholin-4-yl-3-oxo-prop...) Show SMILES CC(C)[C@H](NC(=O)CC(=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/C24H35F5N4O6/c1-13(2)18(20(36)23(25,26)24(27,28)29)31-21(37)15-6-5-7-33(15)22(38)19(14(3)4)30-16(34)12-17(35)32-8-10-39-11-9-32/h13-15,18-19H,5-12H2,1-4H3,(H,30,34)(H,31,37)/t15-,18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 inhibitory activity against human neutrophil elastase was determined at a dose of 25 mg/kg				J Med Chem 37: 4538-53 (1995) BindingDB Entry DOI: 10.7270/Q28P615X
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50282635 ((1R,7R,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...) Show SMILES CCCCCCCCCC[C@@H]1CC[C@H]2[C@H](O)CCCN2C1 Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18+,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki				Bioorg Med Chem Lett 4: 1317-1318 (1994) Article DOI: 10.1016/S0960-894X(01)80352-8 BindingDB Entry DOI: 10.7270/Q23T9H5P
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035490 (CHEMBL141517 | Morpholine-4-carboxylic acid {(S)-2...) Show SMILES CC(C)[C@H](NC(=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/C22H33F5N4O5/c1-12(2)15(17(32)21(23,24)22(25,26)27)28-18(33)14-6-5-7-31(14)19(34)16(13(3)4)29-20(35)30-8-10-36-11-9-30/h12-16H,5-11H2,1-4H3,(H,28,33)(H,29,35)/t14-,15?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	170	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))	BDBM50035496 ((S)-1-{(S)-2-[(Furan-2-carbonyl)-amino]-3-methyl-b...) Show SMILES CC(C)[C@H](NC(=O)c1ccco1)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/C22H28F5N3O5/c1-11(2)15(17(31)21(23,24)22(25,26)27)28-18(32)13-7-5-9-30(13)20(34)16(12(3)4)29-19(33)14-8-6-10-35-14/h6,8,10-13,15-16H,5,7,9H2,1-4H3,(H,28,32)(H,29,33)/t13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	190	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 45 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))	BDBM50035491 (CHEMBL59091 | Morpholine-4-carboxylic acid {(S)-2-...) Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C21H33F3N4O5/c1-12(2)15(17(29)21(22,23)24)25-18(30)14-6-5-7-28(14)19(31)16(13(3)4)26-20(32)27-8-10-33-11-9-27/h12-16H,5-11H2,1-4H3,(H,25,30)(H,26,32)/t14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	190	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))	BDBM50035491 (CHEMBL59091 | Morpholine-4-carboxylic acid {(S)-2-...) Show SMILES CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C21H33F3N4O5/c1-12(2)15(17(29)21(22,23)24)25-18(30)14-6-5-7-28(14)19(31)16(13(3)4)26-20(32)27-8-10-33-11-9-27/h12-16H,5-11H2,1-4H3,(H,25,30)(H,26,32)/t14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	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))	BDBM50035506 ((S)-1-[(S)-2-(3,3-Dimethyl-ureido)-3-methyl-butyry...) Show SMILES CC(C)[C@H](NC(=O)N(C)C)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/C20H31F5N4O4/c1-10(2)13(15(30)19(21,22)20(23,24)25)26-16(31)12-8-7-9-29(12)17(32)14(11(3)4)27-18(33)28(5)6/h10-14H,7-9H2,1-6H3,(H,26,31)(H,27,33)/t12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	261	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				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	320	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
Lanosterol synthase (Homo sapiens (Human))	BDBM50282634 ((1R,7S,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...) Show SMILES CCCCCCCCCC[C@H]1CC[C@H]2[C@H](O)CCCN2C1 Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki				Bioorg Med Chem Lett 4: 1317-1318 (1994) Article DOI: 10.1016/S0960-894X(01)80352-8 BindingDB Entry DOI: 10.7270/Q23T9H5P
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035503 ((S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrolidine-2...) Show SMILES Cl.CC(C)[C@H](N)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/C17H26F5N3O3.ClH/c1-8(2)11(23)15(28)25-7-5-6-10(25)14(27)24-12(9(3)4)13(26)16(18,19)17(20,21)22;/h8-12H,5-7,23H2,1-4H3,(H,24,27);1H/t10-,11-,12-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+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))	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	>2.00E+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 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))	BDBM50035533 (Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...) Show SMILES CC(C)[C@H](NC(=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/C23H35F3N4O6/c1-13(2)17(19(23(24,25)26)36-15(5)31)27-20(32)16-7-6-8-30(16)21(33)18(14(3)4)28-22(34)29-9-11-35-12-10-29/h13-14,16,18H,6-12H2,1-5H3,(H,27,32)(H,28,34)/b19-17+/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.30E+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 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))	BDBM50035533 (Acetic acid (E)-3-methyl-2-[((S)-1-{(S)-3-methyl-2...) Show SMILES CC(C)[C@H](NC(=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/C23H35F3N4O6/c1-13(2)17(19(23(24,25)26)36-15(5)31)27-20(32)16-7-6-8-30(16)21(33)18(14(3)4)28-22(34)29-9-11-35-12-10-29/h13-14,16,18H,6-12H2,1-5H3,(H,27,32)(H,28,34)/b19-17+/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.30E+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 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))	BDBM50035536 ((S)-1-{(S)-3-Methyl-2-[4-(morpholine-4-carbonyl)-b...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]\[#6](=[#6](\[#6])-[#6])-[#6](=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C29H35F5N4O6/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/h7-10,17,20,22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.00E+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 vitro.				J Med Chem 38: 223-33 (1995) BindingDB Entry DOI: 10.7270/Q2CC0ZPC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50281462 ((R)-2-[(6S,7S)-6-((R)-2-Mercapto-3-phenyl-propiony...) Show SMILES CC(C)C[C@@H](N1CCO[C@H]([C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C26H32N2O5S/c1-17(2)15-20(26(31)32)28-13-14-33-23(19-11-7-4-8-12-19)22(25(28)30)27-24(29)21(34)16-18-9-5-3-6-10-18/h3-12,17,20-23,34H,13-16H2,1-2H3,(H,27,29)(H,31,32)/t20-,21-,22+,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against Angiotensin I converting enzyme				Bioorg Med Chem Lett 3: 231-234 (1993) Article DOI: 10.1016/S0960-894X(01)80882-9 BindingDB Entry DOI: 10.7270/Q21G0M5F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035534 ((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)NCC(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C26H31F5N4O6/c1-15(2)20(33-21(37)16-5-7-17(8-6-16)23(39)34-10-12-41-13-11-34)24(40)35-9-3-4-18(35)22(38)32-14-19(36)25(27,28)26(29,30)31/h5-8,15,18,20H,3-4,9-14H2,1-2H3,(H,32,38)(H,33,37)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+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
Neprilysin (Homo sapiens (Human))	BDBM50281462 ((R)-2-[(6S,7S)-6-((R)-2-Mercapto-3-phenyl-propiony...) Show SMILES CC(C)C[C@@H](N1CCO[C@H]([C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C26H32N2O5S/c1-17(2)15-20(26(31)32)28-13-14-33-23(19-11-7-4-8-12-19)22(25(28)30)27-24(29)21(34)16-18-9-5-3-6-10-18/h3-12,17,20-23,34H,13-16H2,1-2H3,(H,27,29)(H,31,32)/t20-,21-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound against neutral endopeptidase				Bioorg Med Chem Lett 3: 231-234 (1993) Article DOI: 10.1016/S0960-894X(01)80882-9 BindingDB Entry DOI: 10.7270/Q21G0M5F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035529 (CHEMBL74545 | {(S)-2-Methyl-1-[(S)-2-(3,3,4,4,4-pe...) Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)C(F)(F)C(F)(F)F Show InChI InChI=1S/C21H32F5N3O5/c1-11(2)13(27-17(33)34-18(3,4)5)15(31)29-10-8-9-12(29)14(30)28-19(6,7)16(32)20(22,23)21(24,25)26/h11-13H,8-10H2,1-7H3,(H,27,33)(H,28,30)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+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
Lanosterol synthase (Homo sapiens (Human))	BDBM50282635 ((1R,7R,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...) Show SMILES CCCCCCCCCC[C@@H]1CC[C@H]2[C@H](O)CCCN2C1 Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18+,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase (OSC)				Bioorg Med Chem Lett 4: 1317-1318 (1994) Article DOI: 10.1016/S0960-894X(01)80352-8 BindingDB Entry DOI: 10.7270/Q23T9H5P
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50282634 ((1R,7S,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...) Show SMILES CCCCCCCCCC[C@H]1CC[C@H]2[C@H](O)CCCN2C1 Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase				Bioorg Med Chem Lett 4: 1317-1318 (1994) Article DOI: 10.1016/S0960-894X(01)80352-8 BindingDB Entry DOI: 10.7270/Q23T9H5P
					More data for this Ligand-Target Pair