Compile Data Set for Download or QSAR

Found 353 hits Enz. Inhib. hit(s) with all data for entry = 7697   

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))	BDBM211882 (US9290459, 45.3 | US9670166, 45.3) Show SMILES FC(F)CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:9| Show InChI InChI=1S/C24H17F5N4O3/c25-19(26)12-31-22(35)33-21(14-6-4-13(11-30)5-7-14)20-17(8-9-18(20)34)32(23(33)36)16-3-1-2-15(10-16)24(27,28)29/h1-7,10,19,21H,8-9,12H2,(H,31,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211883 (US9290459, 45.4 | US9670166, 45.4) Show SMILES O[C@H]1CCC[C@@H]1NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:12| Show InChI InChI=1S/C27H23F3N4O4/c28-27(29,30)17-3-1-4-18(13-17)33-20-11-12-22(36)23(20)24(16-9-7-15(14-31)8-10-16)34(26(33)38)25(37)32-19-5-2-6-21(19)35/h1,3-4,7-10,13,19,21,24,35H,2,5-6,11-12H2,(H,32,37)/t19-,21-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211884 (US9290459, 45.5 | US9670166, 45.5) Show SMILES O[C@H]1COC[C@@H]1NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:12| Show InChI InChI=1S/C26H21F3N4O5/c27-26(28,29)16-2-1-3-17(10-16)32-19-8-9-20(34)22(19)23(15-6-4-14(11-30)5-7-15)33(25(32)37)24(36)31-18-12-38-13-21(18)35/h1-7,10,18,21,23,35H,8-9,12-13H2,(H,31,36)/t18-,21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211885 (US9290459, 45.6 | US9670166, 45.6) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NC3CS(=O)(=O)C3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12| Show InChI InChI=1S/C25H19F3N4O5S/c26-25(27,28)16-2-1-3-18(10-16)31-19-8-9-20(33)21(19)22(15-6-4-14(11-29)5-7-15)32(24(31)35)23(34)30-17-12-38(36,37)13-17/h1-7,10,17,22H,8-9,12-13H2,(H,30,34)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211886 (US9290459, 46) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NC3CCS(=N)(=O)CC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12| Show InChI InChI=1S/C27H24F3N5O4S/c28-27(29,30)18-2-1-3-20(14-18)34-21-8-9-22(36)23(21)24(17-6-4-16(15-31)5-7-17)35(26(34)38)25(37)33-19-10-12-40(32,39)13-11-19/h1-7,14,19,24,32H,8-13H2,(H,33,37)/t19?,24-,40?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120439 (CHEMBL3617975 | US9290459, 47.1 | US9670166, 47.1) Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:6| Show InChI InChI=1S/C24H19F3N4O5S/c1-29-22(33)31-21(16-7-6-13(12-28)10-19(16)37(2,35)36)20-17(8-9-18(20)32)30(23(31)34)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211887 (US9290459, 47.2 | US9670166, 47.2) Show SMILES CCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:7| Show InChI InChI=1S/C25H21F3N4O5S/c1-3-30-23(34)32-22(17-8-7-14(13-29)11-20(17)38(2,36)37)21-18(9-10-19(21)33)31(24(32)35)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,30,34)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211888 (US9290459, 47.3 | US9670166, 47.3) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:22| Show InChI InChI=1S/C25H18F3N5O5S/c1-39(37,38)20-11-14(13-30)5-6-17(20)22-21-18(7-8-19(21)34)32(24(36)33(22)23(35)31-10-9-29)16-4-2-3-15(12-16)25(26,27)28/h2-6,11-12,22H,7-8,10H2,1H3,(H,31,35)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211889 (US9290459, 47.4 | US9670166, 47.4) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:23| Show InChI InChI=1S/C26H21F3N4O5S/c1-39(37,38)21-11-14(13-30)5-8-18(21)23-22-19(9-10-20(22)34)32(17-4-2-3-15(12-17)26(27,28)29)25(36)33(23)24(35)31-16-6-7-16/h2-5,8,11-12,16,23H,6-7,9-10H2,1H3,(H,31,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211890 (US9290459, 47.5 | US9670166, 47.5) Show SMILES CC(C)NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:8| Show InChI InChI=1S/C26H23F3N4O5S/c1-14(2)31-24(35)33-23(18-8-7-15(13-30)11-21(18)39(3,37)38)22-19(9-10-20(22)34)32(25(33)36)17-6-4-5-16(12-17)26(27,28)29/h4-8,11-12,14,23H,9-10H2,1-3H3,(H,31,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211891 (US9290459, 47.6 | US9670166, 47.6) Show SMILES CC(NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N)C#N |r,t:7| Show InChI InChI=1S/C26H20F3N5O5S/c1-14(12-30)32-24(36)34-23(18-7-6-15(13-31)10-21(18)40(2,38)39)22-19(8-9-20(22)35)33(25(34)37)17-5-3-4-16(11-17)26(27,28)29/h3-7,10-11,14,23H,8-9H2,1-2H3,(H,32,36)/t14?,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211892 (US9290459, 47.7 | US9670166, 47.7) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:24| Show InChI InChI=1S/C27H23F3N4O5S/c1-40(38,39)22-11-16(13-31)7-8-19(22)24-23-20(9-10-21(23)35)33(18-4-2-3-17(12-18)27(28,29)30)26(37)34(24)25(36)32-14-15-5-6-15/h2-4,7-8,11-12,15,24H,5-6,9-10,14H2,1H3,(H,32,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211893 (US9290459, 47.8 | US9670166, 47.8) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2COC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:24| Show InChI InChI=1S/C26H21F3N4O6S/c1-40(37,38)21-9-14(11-30)5-6-18(21)23-22-19(7-8-20(22)34)32(17-4-2-3-15(10-17)26(27,28)29)25(36)33(23)24(35)31-16-12-39-13-16/h2-6,9-10,16,23H,7-8,12-13H2,1H3,(H,31,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211894 (US9290459, 47.9 | US9670166, 47.9) Show SMILES COCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:9| Show InChI InChI=1S/C26H23F3N4O6S/c1-39-11-10-31-24(35)33-23(18-7-6-15(14-30)12-21(18)40(2,37)38)22-19(8-9-20(22)34)32(25(33)36)17-5-3-4-16(13-17)26(27,28)29/h3-7,12-13,23H,8-11H2,1-2H3,(H,31,35)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211895 (US9290459, 47.10 | US9670166, 47.10) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC(F)F)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:23| Show InChI InChI=1S/C25H19F5N4O5S/c1-40(38,39)19-9-13(11-31)5-6-16(19)22-21-17(7-8-18(21)35)33(15-4-2-3-14(10-15)25(28,29)30)24(37)34(22)23(36)32-12-20(26)27/h2-6,9-10,20,22H,7-8,12H2,1H3,(H,32,36)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211896 (US9290459, 47.11 | US9670166, 47.11) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2(O)CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C27H23F3N4O6S/c1-41(39,40)21-11-15(13-31)5-6-18(21)23-22-19(7-8-20(22)35)33(17-4-2-3-16(12-17)27(28,29)30)25(37)34(23)24(36)32-14-26(38)9-10-26/h2-6,11-12,23,38H,7-10,14H2,1H3,(H,32,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211897 (US9290459, 47.12 | US9670166, 47.12) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CCOC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C27H23F3N4O6S/c1-41(38,39)22-11-15(13-31)5-6-19(22)24-23-20(7-8-21(23)35)33(18-4-2-3-16(12-18)27(28,29)30)26(37)34(24)25(36)32-17-9-10-40-14-17/h2-6,11-12,17,24H,7-10,14H2,1H3,(H,32,36)/t17?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211898 (US9290459, 47.13 | US9670166, 47.13) Show SMILES CC(C)(O)CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:10| Show InChI InChI=1S/C27H25F3N4O6S/c1-26(2,38)14-32-24(36)34-23(18-8-7-15(13-31)11-21(18)41(3,39)40)22-19(9-10-20(22)35)33(25(34)37)17-6-4-5-16(12-17)27(28,29)30/h4-8,11-12,23,38H,9-10,14H2,1-3H3,(H,32,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211899 (US9290459, 47.14 | US9670166, 47.14) Show SMILES CC(C)(CO)NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:10| Show InChI InChI=1S/C27H25F3N4O6S/c1-26(2,14-35)32-24(37)34-23(18-8-7-15(13-31)11-21(18)41(3,39)40)22-19(9-10-20(22)36)33(25(34)38)17-6-4-5-16(12-17)27(28,29)30/h4-8,11-12,23,35H,9-10,14H2,1-3H3,(H,32,37)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211900 (US9290459, 47.15 | US9670166, 47.15) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CCOCC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(39,40)23-13-16(15-32)5-6-20(23)25-24-21(7-8-22(24)36)34(19-4-2-3-17(14-19)28(29,30)31)27(38)35(25)26(37)33-18-9-11-41-12-10-18/h2-6,13-14,18,25H,7-12H2,1H3,(H,33,37)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211901 (US9290459, 43.16 | US9670166, 47.16) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2CC(O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:26,(-1.61,5.02,;-2.94,4.25,;-3.71,2.92,;-2.17,2.92,;-4.28,5.02,;-4.28,6.56,;-5.61,7.33,;-6.94,6.56,;-6.94,5.02,;-5.61,4.25,;-5.61,.54,;-4.28,-.23,;-2.94,.54,;-2.94,2.08,;-1.61,-.23,;-.28,.54,;1.06,-.23,;1.46,-1.71,;2.94,-1.31,;4.28,-2.08,;2.55,.17,;-4.28,-1.77,;-2.94,-2.54,;-5.61,-2.54,;-6.94,-1.77,;-6.94,-.23,;-8.41,.25,;-9.18,1.58,;-9.31,-1,;-8.41,-2.24,;-5.61,-4.08,;-6.94,-4.85,;-6.94,-6.39,;-5.61,-7.16,;-4.23,-6.41,;-4.28,-4.85,;-2.9,-7.18,;-1.56,-7.95,;-3.67,-8.52,;-2.13,-5.85,;-5.61,8.87,;-5.61,10.41,)| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-11-15(13-32)5-6-20(23)25-24-21(7-8-22(24)37)34(18-4-2-3-17(12-18)28(29,30)31)27(39)35(25)26(38)33-14-16-9-19(36)10-16/h2-6,11-12,16,19,25,36H,7-10,14H2,1H3,(H,33,38)/t16?,19?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211902 (US9290459, 47.17 | US9670166, 47.17) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NCC2(O)CCC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)22-12-16(14-32)6-7-19(22)24-23-20(8-9-21(23)36)34(18-5-2-4-17(13-18)28(29,30)31)26(38)35(24)25(37)33-15-27(39)10-3-11-27/h2,4-7,12-13,24,39H,3,8-11,15H2,1H3,(H,33,37)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211903 (US9290459, 47.18 | US9670166, 47.18) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)N[C@H]2CCC[C@H]2O)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-12-15(14-32)8-9-18(23)25-24-20(10-11-22(24)37)34(17-5-2-4-16(13-17)28(29,30)31)27(39)35(25)26(38)33-19-6-3-7-21(19)36/h2,4-5,8-9,12-13,19,21,25,36H,3,6-7,10-11H2,1H3,(H,33,38)/t19-,21+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211904 (US9290459, 47.19 | US9670166, 47.19) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)N[C@H]2CCC[C@@H]2O)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-12-15(14-32)8-9-18(23)25-24-20(10-11-22(24)37)34(17-5-2-4-16(13-17)28(29,30)31)27(39)35(25)26(38)33-19-6-3-7-21(19)36/h2,4-5,8-9,12-13,19,21,25,36H,3,6-7,10-11H2,1H3,(H,33,38)/t19-,21-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211905 (US9290459, 47.20 | US9670166, 47.20) Show SMILES CC(C)(O)CCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:11| Show InChI InChI=1S/C28H27F3N4O6S/c1-27(2,39)11-12-33-25(37)35-24(19-8-7-16(15-32)13-22(19)42(3,40)41)23-20(9-10-21(23)36)34(26(35)38)18-6-4-5-17(14-18)28(29,30)31/h4-8,13-14,24,39H,9-12H2,1-3H3,(H,33,37)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211757 (US9290459, 10A | US9290459, 47.21 | US9670166, 10A) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:16| Show InChI InChI=1S/C22H16F3N3O4S/c1-33(31,32)18-9-12(11-26)5-6-15(18)20-19-16(7-8-17(19)29)28(21(30)27-20)14-4-2-3-13(10-14)22(23,24)25/h2-6,9-10,20H,7-8H2,1H3,(H,27,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211907 (US9290459, 48.1 | US9670166, 48.4) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2(CC2)C#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C27H20F3N5O5S/c1-41(39,40)21-11-15(13-31)5-6-18(21)23-22-19(7-8-20(22)36)34(17-4-2-3-16(12-17)27(28,29)30)25(38)35(23)24(37)33-26(14-32)9-10-26/h2-6,11-12,23H,7-10H2,1H3,(H,33,37)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211908 (US9290459, 48.2 | US9670166, 48.2) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2C3CC2C3)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:26,(-.3,4.09,;-1.64,3.32,;-2.41,1.99,;-.87,1.99,;-2.97,4.09,;-2.97,5.63,;-4.3,6.4,;-5.64,5.63,;-5.64,4.09,;-4.3,3.32,;-4.3,-.38,;-2.97,-1.15,;-1.64,-.38,;-1.64,1.15,;-.3,-1.15,;1.03,-.38,;2.52,-.78,;2.52,.76,;1.43,1.1,;2.97,1.1,;-2.97,-2.69,;-1.64,-3.46,;-4.3,-3.46,;-5.64,-2.69,;-5.64,-1.15,;-7.1,-.68,;-7.87,.65,;-8.01,-1.92,;-7.1,-3.17,;-4.3,-5,;-5.64,-5.77,;-5.64,-7.31,;-4.3,-8.08,;-2.92,-7.34,;-2.97,-5.77,;-1.59,-8.11,;-.25,-8.88,;-2.36,-9.45,;-.82,-6.78,;-4.3,7.94,;-4.3,9.48,)| Show InChI InChI=1S/C28H23F3N4O5S/c1-41(39,40)22-9-14(13-32)5-6-19(22)25-23-20(7-8-21(23)36)34(18-4-2-3-17(12-18)28(29,30)31)27(38)35(25)26(37)33-24-15-10-16(24)11-15/h2-6,9,12,15-16,24-25H,7-8,10-11H2,1H3,(H,33,37)/t15?,16?,24?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211909 (US9290459, 48.3 | US9670166, 48.3) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)NC2CC(O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:25,(-.94,3.93,;-2.28,3.16,;-3.05,1.83,;-1.51,1.83,;-3.61,3.93,;-3.61,5.47,;-4.94,6.24,;-6.28,5.47,;-6.28,3.93,;-4.94,3.16,;-4.94,-.54,;-3.61,-1.31,;-2.28,-.54,;-2.28,1,;-.94,-1.31,;.39,-.54,;1.88,-.94,;2.28,.54,;3.61,1.31,;.79,.94,;-3.61,-2.85,;-2.28,-3.62,;-4.94,-3.62,;-6.28,-2.85,;-6.28,-1.31,;-7.74,-.84,;-8.51,.5,;-8.65,-2.08,;-7.74,-3.33,;-4.94,-5.16,;-6.28,-5.93,;-6.28,-7.47,;-4.94,-8.24,;-3.56,-7.5,;-3.61,-5.93,;-2.23,-8.27,;-.9,-9.04,;-3,-9.61,;-1.46,-6.94,;-4.94,7.78,;-4.94,9.32,)| Show InChI InChI=1S/C27H23F3N4O6S/c1-41(39,40)22-9-14(13-31)5-6-19(22)24-23-20(7-8-21(23)36)33(17-4-2-3-15(10-17)27(28,29)30)26(38)34(24)25(37)32-16-11-18(35)12-16/h2-6,9-10,16,18,24,35H,7-8,11-12H2,1H3,(H,32,37)/t16?,18?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211910 (US9290459, 48.4) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(C(=O)N[C@H]2CC[C@H](O)C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C28H25F3N4O6S/c1-42(40,41)23-11-15(14-32)5-8-20(23)25-24-21(9-10-22(24)37)34(18-4-2-3-16(12-18)28(29,30)31)27(39)35(25)26(38)33-17-6-7-19(36)13-17/h2-5,8,11-12,17,19,25,36H,6-7,9-10,13H2,1H3,(H,33,38)/t17-,19-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211912 (US9290459, 49A | US9670166, 49A) Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1F)C#N |r,t:6| Show InChI InChI=1S/C23H16F4N4O3/c1-29-21(33)31-20(15-6-5-12(11-28)9-16(15)24)19-17(7-8-18(19)32)30(22(31)34)14-4-2-3-13(10-14)23(25,26)27/h2-6,9-10,20H,7-8H2,1H3,(H,29,33)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211916 (US9290459, 49.3 | US9670166, 49.3) Show SMILES CS(=O)(=O)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1F)C#N |t:11| Show InChI InChI=1S/C25H20F4N4O5S/c1-39(37,38)10-9-31-23(35)33-22(17-6-5-14(13-30)11-18(17)26)21-19(7-8-20(21)34)32(24(33)36)16-4-2-3-15(12-16)25(27,28)29/h2-6,11-12,22H,7-10H2,1H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211918 (US9290459, 50.2 | US9670166, 50.2) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C)C#N |t:6| Show InChI InChI=1S/C24H19F3N4O3/c1-13-10-14(12-28)6-7-17(13)21-20-18(8-9-19(20)32)30(23(34)31(21)22(33)29-2)16-5-3-4-15(11-16)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211921 (US9290459, 50.5 | US9670166, 50.5) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N |t:6| Show InChI InChI=1S/C24H19F3N4O4S/c1-29-22(33)31-21(16-7-6-13(12-28)10-19(16)36(2)35)20-17(8-9-18(20)32)30(23(31)34)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211923 (US9290459, 50.7 | US9670166, 50.7) Show SMILES CCS(=O)(=O)c1cc(ccc1C1N(C(=O)NC)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |c:21| Show InChI InChI=1S/C25H21F3N4O5S/c1-3-38(36,37)20-11-14(13-29)7-8-17(20)22-21-18(9-10-19(21)33)31(24(35)32(22)23(34)30-2)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211919 (US9290459, 50.3 | US9290459, 51.1 | US9670166, 50....) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1OC)C#N |t:6| Show InChI InChI=1S/C24H19F3N4O4/c1-29-22(33)31-21(16-7-6-13(12-28)10-19(16)35-2)20-17(8-9-18(20)32)30(23(31)34)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211925 (US9290459, 51.2 | US9670166, 51.2) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1Cl)C#N |t:7| Show InChI InChI=1S/C24H18ClF3N4O3/c1-2-30-22(34)32-21(16-7-6-13(12-29)10-17(16)25)20-18(8-9-19(20)33)31(23(32)35)15-5-3-4-14(11-15)24(26,27)28/h3-7,10-11,21H,2,8-9H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211926 (US9290459, 51.3 | US9670166, 51.3) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)CC)C#N |t:7| Show InChI InChI=1S/C26H23F3N4O5S/c1-3-31-24(35)33-23(18-9-8-15(14-30)12-21(18)39(37,38)4-2)22-19(10-11-20(22)34)32(25(33)36)17-7-5-6-16(13-17)26(27,28)29/h5-9,12-13,23H,3-4,10-11H2,1-2H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211927 (US9290459, 51.4 | US9475779, C.3 | US9670166, 51.4) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N |t:7| Show InChI InChI=1S/C25H21F3N4O4S/c1-3-30-23(34)32-22(17-8-7-14(13-29)11-20(17)37(2)36)21-18(9-10-19(21)33)31(24(32)35)16-6-4-5-15(12-16)25(26,27)28/h4-8,11-12,22H,3,9-10H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211928 (US9290459, 52 | US9670166, 52) Show SMILES OCCCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C25H22F2N4O4/c26-23(27)17-3-1-4-18(13-17)30-19-9-10-20(33)21(19)22(16-7-5-15(14-28)6-8-16)31(25(30)35)24(34)29-11-2-12-32/h1,3-8,13,22-23,32H,2,9-12H2,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211929 (US9290459, 52A | US9670166, 52A) Show SMILES OCCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |r,t:9| Show InChI InChI=1S/C25H22F2N4O4/c26-23(27)17-3-1-4-18(13-17)30-19-9-10-20(33)21(19)22(16-7-5-15(14-28)6-8-16)31(25(30)35)24(34)29-11-2-12-32/h1,3-8,13,22-23,32H,2,9-12H2,(H,29,34)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211932 (US9290459, 52.2 | US9670166, 52.2) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F2N4O3/c1-2-28-23(32)30-21(15-8-6-14(13-27)7-9-15)20-18(10-11-19(20)31)29(24(30)33)17-5-3-4-16(12-17)22(25)26/h3-9,12,21-22H,2,10-11H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211933 (US9290459, 52.3 | US9670166, 52.3) Show SMILES OCCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |t:8| Show InChI InChI=1S/C24H20F2N4O4/c25-22(26)16-2-1-3-17(12-16)29-18-8-9-19(32)20(18)21(15-6-4-14(13-27)5-7-15)30(24(29)34)23(33)28-10-11-31/h1-7,12,21-22,31H,8-11H2,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211934 (US9290459, 52.4 | US9670166, 52.4) Show SMILES COCCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |t:9| Show InChI InChI=1S/C25H22F2N4O4/c1-35-12-11-29-24(33)31-22(16-7-5-15(14-28)6-8-16)21-19(9-10-20(21)32)30(25(31)34)18-4-2-3-17(13-18)23(26)27/h2-8,13,22-23H,9-12H2,1H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211935 (US9290459, 52.5 | US9670166, 52.5) Show SMILES CC(C)(O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |t:10| Show InChI InChI=1S/C26H24F2N4O4/c1-26(2,36)14-30-24(34)32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-20(21)33)31(25(32)35)18-5-3-4-17(12-18)23(27)28/h3-9,12,22-23,36H,10-11,14H2,1-2H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211936 (US9290459, 53.1 | US9670166, 53.1) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:6| Show InChI InChI=1S/C24H20F2N4O5S/c1-28-23(32)30-21(16-7-6-13(12-27)10-19(16)36(2,34)35)20-17(8-9-18(20)31)29(24(30)33)15-5-3-4-14(11-15)22(25)26/h3-7,10-11,21-22H,8-9H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211937 (US9290459, 53.2 | US9670166, 53.2) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:7| Show InChI InChI=1S/C25H22F2N4O5S/c1-3-29-24(33)31-22(17-8-7-14(13-28)11-20(17)37(2,35)36)21-18(9-10-19(21)32)30(25(31)34)16-6-4-5-15(12-16)23(26)27/h4-8,11-12,22-23H,3,9-10H2,1-2H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211938 (US9290459, 53.3 | US9670166, 53.3) Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)NC2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N |c:23| Show InChI InChI=1S/C26H22F2N4O5S/c1-38(36,37)21-11-14(13-29)5-8-18(21)23-22-19(9-10-20(22)33)31(17-4-2-3-15(12-17)24(27)28)26(35)32(23)25(34)30-16-6-7-16/h2-5,8,11-12,16,23-24H,6-7,9-10H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211939 (US9290459, 53.4 | US9670166, 53.4) Show SMILES CC(C)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:8| Show InChI InChI=1S/C26H24F2N4O5S/c1-14(2)30-25(34)32-23(18-8-7-15(13-29)11-21(18)38(3,36)37)22-19(9-10-20(22)33)31(26(32)35)17-6-4-5-16(12-17)24(27)28/h4-8,11-12,14,23-24H,9-10H2,1-3H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211940 (US9290459, 53.5 | US9670166, 53.5) Show SMILES CC(C)(O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:10| Show InChI InChI=1S/C27H26F2N4O6S/c1-27(2,37)14-31-25(35)33-23(18-8-7-15(13-30)11-21(18)40(3,38)39)22-19(9-10-20(22)34)32(26(33)36)17-6-4-5-16(12-17)24(28)29/h4-8,11-12,23-24,37H,9-10,14H2,1-3H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair

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