Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 1109   

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))	BDBM310062 (US9657015, Example 25 | US9657015, Example 30A) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N |t:3| Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(11-29)9-18(17)20-12-30-13-36-20)21-19(7-8-31-23(21)34)33(24(32)35)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,31,34)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310086 (US9657015, Example 41) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2ccc(=O)n(C)n2)C#N)C1=O |t:4| Show InChI InChI=1S/C28H23F3N6O3/c1-34-12-11-22-24(26(34)39)25(35(2)27(40)37(22)18-6-4-5-17(14-18)28(29,30)31)19-8-7-16(15-32)13-20(19)21-9-10-23(38)36(3)33-21/h4-10,13-14,25H,11-12H2,1-3H3	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310085 (US9657015, Example 40) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:3| Show InChI InChI=1S/C23H19F3N4O4S/c1-29-20(16-7-6-13(12-27)10-18(16)35(2,33)34)19-17(8-9-28-21(19)31)30(22(29)32)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,20H,8-9H2,1-2H3,(H,28,31)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310082 (US9657015, Example 39 | US9657015, Example 39.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O |t:4| Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310082 (US9657015, Example 39 | US9657015, Example 39.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O |t:4| Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310081 (US9657015, Example 38) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2CO)C#N)C1=O |t:4| Show InChI InChI=1S/C24H21F3N4O3/c1-29-9-8-19-20(22(29)33)21(18-7-6-14(12-28)10-15(18)13-32)30(2)23(34)31(19)17-5-3-4-16(11-17)24(25,26)27/h3-7,10-11,21,32H,8-9,13H2,1-2H3	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310080 (US9657015, Example 37) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnco2)C#N)C1=O |t:4| Show InChI InChI=1S/C26H20F3N5O3/c1-32-9-8-20-22(24(32)35)23(18-7-6-15(12-30)10-19(18)21-13-31-14-37-21)33(2)25(36)34(20)17-5-3-4-16(11-17)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310076 (US9657015, Example 36 | US9657015, Example 36.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O |t:4| Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310075 (US9657015, Example 35) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncn1)C#N |t:3| Show InChI InChI=1S/C26H19F3N6O2/c1-34-23(18-6-5-15(13-30)11-19(18)20-7-9-31-14-33-20)22-21(8-10-32-24(22)36)35(25(34)37)17-4-2-3-16(12-17)26(27,28)29/h2-7,9,11-12,14,23H,8,10H2,1H3,(H,32,36)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310014 (US9657015, Example 8A) Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |r,t:3| Show InChI InChI=1S/C22H18F2N4O2/c1-27-19(14-7-5-13(12-25)6-8-14)18-17(9-10-26-21(18)29)28(22(27)30)16-4-2-3-15(11-16)20(23)24/h2-8,11,19-20H,9-10H2,1H3,(H,26,29)/t19-/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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310053 (US9657015, Example 16) Show SMILES CNC(=O)N1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:6| Show InChI InChI=1S/C23H18F3N5O3/c1-28-21(33)31-19(14-7-5-13(12-27)6-8-14)18-17(9-10-29-20(18)32)30(22(31)34)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,19H,9-10H2,1H3,(H,28,33)(H,29,32)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310054 (BDBM310055 | US9657015, Example 17) Show SMILES OCCNC(=O)N1CCC2=C(C(NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O |t:9| Show InChI InChI=1S/C24H20F3N5O4/c25-24(26,27)16-2-1-3-17(12-16)32-18-8-10-31(22(35)29-9-11-33)21(34)19(18)20(30-23(32)36)15-6-4-14(13-28)5-7-15/h1-7,12,20,33H,8-11H2,(H,29,35)(H,30,36)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310059 (US9657015, Example 22) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1Br)C#N |t:3| Show InChI InChI=1S/C22H16BrF3N4O2/c1-29-19(15-6-5-12(11-27)9-16(15)23)18-17(7-8-28-20(18)31)30(21(29)32)14-4-2-3-13(10-14)22(24,25)26/h2-6,9-10,19H,7-8H2,1H3,(H,28,31)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310060 (US9657015, Example 23) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1-c1cnco1)C#N |c:16| Show InChI InChI=1S/C24H16F3N5O3/c25-24(26,27)14-2-1-3-15(9-14)32-18-6-7-30-22(33)20(18)21(31-23(32)34)16-5-4-13(10-28)8-17(16)19-11-29-12-35-19/h1-5,8-9,11-12,21H,6-7H2,(H,30,33)(H,31,34)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310061 (US9657015, Example 24) Show SMILES Cn1cc(cn1)-c1cc(ccc1C1NC(=O)N(C2=C1C(=O)NCC2)c1cccc(c1)C(F)(F)F)C#N |c:19| Show InChI InChI=1S/C25H19F3N6O2/c1-33-13-15(12-31-33)19-9-14(11-29)5-6-18(19)22-21-20(7-8-30-23(21)35)34(24(36)32-22)17-4-2-3-16(10-17)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,30,35)(H,32,36)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310012 (US9657015, Example 6) Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:3| Show InChI InChI=1S/C22H17F3N4O2/c1-28-19(14-7-5-13(12-26)6-8-14)18-17(9-10-27-20(18)30)29(21(28)31)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,30)/t19-/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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310063 (US9657015, Example 26) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N |t:3| Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310064 (US9657015, Example 27) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1C(F)(F)F)C#N |c:16| Show InChI InChI=1S/C22H14F6N4O2/c23-21(24,25)12-2-1-3-13(9-12)32-16-6-7-30-19(33)17(16)18(31-20(32)34)14-5-4-11(10-29)8-15(14)22(26,27)28/h1-5,8-9,18H,6-7H2,(H,30,33)(H,31,34)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310065 (US9657015, Example 28) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C(F)(F)F)C#N |t:3| Show InChI InChI=1S/C23H16F6N4O2/c1-32-19(15-6-5-12(11-30)9-16(15)23(27,28)29)18-17(7-8-31-20(18)34)33(21(32)35)14-4-2-3-13(10-14)22(24,25)26/h2-6,9-10,19H,7-8H2,1H3,(H,31,34)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310066 (US9657015, Example 29) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N |t:3| Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310062 (US9657015, Example 25 | US9657015, Example 30A) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnco1)C#N |t:3| Show InChI InChI=1S/C25H18F3N5O3/c1-32-22(17-6-5-14(11-29)9-18(17)20-12-30-13-36-20)21-19(7-8-31-23(21)34)33(24(32)35)16-4-2-3-15(10-16)25(26,27)28/h2-6,9-10,12-13,22H,7-8H2,1H3,(H,31,34)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310069 (US9657015, Example 31A) Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N |r,t:3| Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)/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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310071 (US9657015, Example 32A) Show SMILES CN1[C@@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1CO)C#N |r,t:3| Show InChI InChI=1S/C23H19F3N4O3/c1-29-20(17-6-5-13(11-27)9-14(17)12-31)19-18(7-8-28-21(19)32)30(22(29)33)16-4-2-3-15(10-16)23(24,25)26/h2-6,9-10,20,31H,7-8,12H2,1H3,(H,28,32)/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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310073 (US9657015, Example 33) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1ccncc1)C#N |t:3| Show InChI InChI=1S/C27H20F3N5O2/c1-34-24(20-6-5-16(15-31)13-21(20)17-7-10-32-11-8-17)23-22(9-12-33-25(23)36)35(26(34)37)19-4-2-3-18(14-19)27(28,29)30/h2-8,10-11,13-14,24H,9,12H2,1H3,(H,33,36)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310074 (US9657015, Example 34) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cccnc1)C#N |t:3| Show InChI InChI=1S/C27H20F3N5O2/c1-34-24(20-8-7-16(14-31)12-21(20)17-4-3-10-32-15-17)23-22(9-11-33-25(23)36)35(26(34)37)19-6-2-5-18(13-19)27(28,29)30/h2-8,10,12-13,15,24H,9,11H2,1H3,(H,33,36)	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	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310076 (US9657015, Example 36 | US9657015, Example 36.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O |t:4| Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310013 (US9657015, Example 7) Show SMILES CN1CCC2=C([C@H](N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O |r,t:4| Show InChI InChI=1S/C23H19F3N4O2/c1-28-11-10-18-19(21(28)31)20(15-8-6-14(13-27)7-9-15)29(2)22(32)30(18)17-5-3-4-16(12-17)23(24,25)26/h3-9,12,20H,10-11H2,1-2H3/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310009 (Enantiomers of Example 4 | US9657015, Example 4A) Show SMILES CN1CCC2=C([C@H](NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1=O |r,t:4| Show InChI InChI=1S/C22H17F3N4O2/c1-28-10-9-17-18(20(28)30)19(14-7-5-13(12-26)6-8-14)27-21(31)29(17)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,31)/t19-/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310076 (US9657015, Example 36 | US9657015, Example 36.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O |t:4| Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310020 (US9657015, Example 12A | US9657015, Example 12B) Show SMILES CNC(=O)CN1[C@H](C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(H,30,34)/t21-/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310076 (US9657015, Example 36 | US9657015, Example 36.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2-c2cnn(C)c2)C#N)C1=O |t:4| Show InChI InChI=1S/C27H23F3N6O2/c1-33-10-9-22-23(25(33)37)24(20-8-7-16(13-31)11-21(20)17-14-32-34(2)15-17)35(3)26(38)36(22)19-6-4-5-18(12-19)27(28,29)30/h4-8,11-12,14-15,24H,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310011 (US9657015, Example 5) Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:3| Show InChI InChI=1S/C22H17F3N4O2/c1-28-19(14-7-5-13(12-26)6-8-14)18-17(9-10-27-20(18)30)29(21(28)31)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,19H,9-10H2,1H3,(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310058 (US9657015, Example 21) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)NC(C2=C1CCNC2=O)c1ccc(cc1Br)C#N |c:16| Show InChI InChI=1S/C21H14BrF3N4O2/c22-15-8-11(10-26)4-5-14(15)18-17-16(6-7-27-19(17)30)29(20(31)28-18)13-3-1-2-12(9-13)21(23,24)25/h1-5,8-9,18H,6-7H2,(H,27,30)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310082 (US9657015, Example 39 | US9657015, Example 39.1 | ...) Show SMILES CN1CCC2=C(C(N(C)C(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2C(N)=O)C#N)C1=O |t:4| Show InChI InChI=1S/C24H20F3N5O3/c1-30-9-8-18-19(22(30)34)20(16-7-6-13(12-28)10-17(16)21(29)33)31(2)23(35)32(18)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,20H,8-9H2,1-2H3,(H2,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	2	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	2	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310016 (US9657015, Example 9) Show SMILES COC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H19F3N4O4/c1-35-19(32)13-30-21(15-7-5-14(12-28)6-8-15)20-18(9-10-29-22(20)33)31(23(30)34)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310019 (US9657015, Example 12 | US9657015, Example 12.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O3/c1-29-19(33)13-31-21(15-7-5-14(12-28)6-8-15)20-18(9-10-30-22(20)34)32(23(31)35)17-4-2-3-16(11-17)24(25,26)27/h2-8,11,21H,9-10,13H2,1H3,(H,29,33)(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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM310046 (US9657015, Example 15 | US9657015, Example 15.1 | ...) Show SMILES CNC(=O)CN1C(C2=C(CCN(C)C2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C25H22F3N5O3/c1-30-20(34)14-32-22(16-8-6-15(13-29)7-9-16)21-19(10-11-31(2)23(21)35)33(24(32)36)18-5-3-4-17(12-18)25(26,27)28/h3-9,12,22H,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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
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 US9657015 (2017) BindingDB Entry DOI: 10.7270/Q28G8NRP
					More data for this Ligand-Target Pair

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