Compile Data Set for Download or QSAR

Found 973 hits with Last Name = 'hoesch' and Initial = 'h'   

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))	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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189407 (US9670166, 51.1) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1OC)C#N |t:7| Show InChI InChI=1S/C25H21F3N4O4/c1-3-30-23(34)32-22(17-8-7-14(13-29)11-20(17)36-2)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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211946 (US9290459, 56.1 | US9670166, 56.1) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:6| Show InChI InChI=1S/C23H18F3N5O5S/c1-28-21(33)31-20(14-4-3-12(11-27)9-17(14)37(2,35)36)19-15(5-6-16(19)32)30(22(31)34)13-7-8-29-18(10-13)23(24,25)26/h3-4,7-10,20H,5-6H2,1-2H3,(H,28,33)	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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211947 (US9290459, 56.2 | US9475779, D.4.10 | US9670166, 5...) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:7| Show InChI InChI=1S/C24H20F3N5O5S/c1-3-29-22(34)32-21(15-5-4-13(12-28)10-18(15)38(2,36)37)20-16(6-7-17(20)33)31(23(32)35)14-8-9-30-19(11-14)24(25,26)27/h4-5,8-11,21H,3,6-7H2,1-2H3,(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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211737 (US9290459, 7.1 | US9670166, 7.1) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:6| Show InChI InChI=1S/C23H17F3N4O3/c1-28-21(32)30-20(14-7-5-13(12-27)6-8-14)19-17(9-10-18(19)31)29(22(30)33)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,20H,9-10H2,1H3,(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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211748 (US9290459, 7.1A | US9670166, 7.1A) Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:6| Show InChI InChI=1S/C23H17F3N4O3/c1-28-21(32)30-20(14-7-5-13(12-27)6-8-14)19-17(9-10-18(19)31)29(22(30)33)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,20H,9-10H2,1H3,(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	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 US9670166 (2017) BindingDB Entry DOI: 10.7270/Q25Q4T8F
					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))	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))	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))	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))	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))	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

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