Compile Data Set for Download or QSAR

Found 63 hits of ec50 data for polymerid = 50001296,50001297,5023   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil elastase (Homo sapiens (Human))	BDBM50120438 (CHEMBL3617974 | US9290459, 23 | US9670166, 23) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1N(CC#N)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:19| Show InChI InChI=1S/C24H17F3N4O4S/c1-36(34,35)20-11-14(13-29)5-6-17(20)22-21-18(7-8-19(21)32)31(23(33)30(22)10-9-28)16-4-2-3-15(12-16)24(25,26)27/h2-6,11-12,22H,7-8,10H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211813 (US9290459, 30A | US9475779, C.2A | US9670166, 30A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N |r,t:3| Show InChI InChI=1S/C23H18F3N3O3S/c1-28-21(16-7-6-13(12-27)10-19(16)33(2)32)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/t21-,33?/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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50032890 (CHEMBL3342780) Show SMILES CS(=O)(=O)c1cc(ccc1C1N(C(=O)N2CC2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N |c:22| Show InChI InChI=1S/C25H20F2N4O5S/c1-37(35,36)20-11-14(13-28)5-6-17(20)22-21-18(7-8-19(21)32)30(16-4-2-3-15(12-16)23(26)27)25(34)31(22)24(33)29-9-10-29/h2-6,11-12,22-23H,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211750 (US9290459, 7.2A | US9670166, 7.2A) Show SMILES OCCNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:8| Show InChI InChI=1S/C24H19F3N4O4/c25-24(26,27)16-2-1-3-17(12-16)30-18-8-9-19(33)20(18)21(15-6-4-14(13-28)5-7-15)31(23(30)35)22(34)29-10-11-32/h1-7,12,21,32H,8-11H2,(H,29,34)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211763 (US9290459, 14A | US9670166, 14A) Show SMILES CCS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |r,c:17| Show InChI InChI=1S/C23H18F3N3O4S/c1-2-34(32,33)19-10-13(12-27)6-7-16(19)21-20-17(8-9-18(20)30)29(22(31)28-21)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,2,8-9H2,1H3,(H,28,31)/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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211931 (US9290459, 52.1 | US9670166, 52.1) Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |t:6| Show InChI InChI=1S/C23H18F2N4O3/c1-27-22(31)29-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)30)28(23(29)32)16-4-2-3-15(11-16)21(24)25/h2-8,11,20-21H,9-10H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211812 (US9290459, 29 | US9475779, D.1A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3| Show InChI InChI=1S/C22H17F3N4O4S/c1-28-20(14-4-3-12(11-26)9-17(14)34(2,32)33)19-15(5-6-16(19)30)29(21(28)31)13-7-8-27-18(10-13)22(23,24)25/h3-4,7-10,20H,5-6H2,1-2H3/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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211838 (US9290459, 41.1 | US9670166, 41.1) Show SMILES C[C@H](O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:9| Show InChI InChI=1S/C25H21F3N4O4/c1-14(33)13-30-23(35)32-22(16-7-5-15(12-29)6-8-16)21-19(9-10-20(21)34)31(24(32)36)18-4-2-3-17(11-18)25(26,27)28/h2-8,11,14,22,33H,9-10,13H2,1H3,(H,30,35)/t14-,22?/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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211786 (US9290459, 22.4 | US9670166, 22.4) Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CC(=O)N2CC3CC3C2)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |c:27| Show InChI InChI=1S/C29H25F3N4O5S/c1-42(40,41)24-9-16(12-33)5-6-21(24)27-26-22(7-8-23(26)37)36(20-4-2-3-19(11-20)29(30,31)32)28(39)35(27)15-25(38)34-13-17-10-18(17)14-34/h2-6,9,11,17-18,27H,7-8,10,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211782 (US9290459, 21 | US9670166, 21) Show SMILES CN(CCO)C(=O)CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:10| Show InChI InChI=1S/C27H25F3N4O6S/c1-32(10-11-35)23(37)15-33-25(19-7-6-16(14-31)12-22(19)41(2,39)40)24-20(8-9-21(24)36)34(26(33)38)18-5-3-4-17(13-18)27(28,29)30/h3-7,12-13,25,35H,8-11,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211741 (US9290459, 7.5 | US9670166, 7.5) Show SMILES CN(C)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:10| Show InChI InChI=1S/C26H24F3N5O3/c1-32(2)13-12-31-24(36)34-23(17-8-6-16(15-30)7-9-17)22-20(10-11-21(22)35)33(25(34)37)19-5-3-4-18(14-19)26(27,28)29/h3-9,14,23H,10-13H2,1-2H3,(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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211799 (US9290459, 25 | US9670166, 25) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:3| Show InChI InChI=1S/C23H18F3N3O4S/c1-28-21(16-7-6-13(12-27)10-19(16)34(2,32)33)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211742 (US9290459, 7.6 | US9670166, 7.6) Show SMILES CS(=O)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:10| Show InChI InChI=1S/C25H21F3N4O4S/c1-37(36)12-11-30-23(34)32-22(16-7-5-15(14-29)6-8-16)21-19(9-10-20(21)33)31(24(32)35)18-4-2-3-17(13-18)25(26,27)28/h2-8,13,22H,9-12H2,1H3,(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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211836 (US9290459, 41A | US9670166, 41A) Show SMILES CC(C)(O)CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:10| Show InChI InChI=1S/C26H23F3N4O4/c1-25(2,37)14-31-23(35)33-22(16-8-6-15(13-30)7-9-16)21-19(10-11-20(21)34)32(24(33)36)18-5-3-4-17(12-18)26(27,28)29/h3-9,12,22,37H,10-11,14H2,1-2H3,(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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211942 (US9290459, 54.2 | US9670166, 54.2) Show SMILES CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:7| Show InChI InChI=1S/C23H18F3N5O3/c1-2-28-21(33)31-20(14-5-3-13(12-27)4-6-14)19-16(7-8-17(19)32)30(22(31)34)15-9-10-29-18(11-15)23(24,25)26/h3-6,9-11,20H,2,7-8H2,1H3,(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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211822 (US9290459, 33 | US9670166, 33) Show SMILES COC(=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/C24H18F3N3O6S/c1-36-23(33)30-21(16-7-6-13(12-28)10-19(16)37(2,34)35)20-17(8-9-18(20)31)29(22(30)32)15-5-3-4-14(11-15)24(25,26)27/h3-7,10-11,21H,8-9H2,1-2H3/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	n/a	n/a	<1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211875 (US9290459, 42.6 | US9670166, 42.6) Show SMILES O[C@@H]1COC[C@@H]1NC(=O)N1C(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	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211745 (US9290459, 7.9 | US9670166, 7.9) Show SMILES CN1CC(CC1=O)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:13| Show InChI InChI=1S/C27H22F3N5O4/c1-33-14-18(12-22(33)37)32-25(38)35-24(16-7-5-15(13-31)6-8-16)23-20(9-10-21(23)36)34(26(35)39)19-4-2-3-17(11-19)27(28,29)30/h2-8,11,18,24H,9-10,12,14H2,1H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211841 (US9290459, 41.4 | US9670166, 41.4) Show SMILES C[C@H](CO)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:9| Show InChI InChI=1S/C25H21F3N4O4/c1-14(13-33)30-23(35)32-22(16-7-5-15(12-29)6-8-16)21-19(9-10-20(21)34)31(24(32)36)18-4-2-3-17(11-18)25(26,27)28/h2-8,11,14,22,33H,9-10,13H2,1H3,(H,30,35)/t14-,22?/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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211853 (US9290459, 41.16 | US9670166, 41.16) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(C(=O)NC3CCOCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C27H23F3N4O4/c28-27(29,30)18-2-1-3-20(14-18)33-21-8-9-22(35)23(21)24(17-6-4-16(15-31)5-7-17)34(26(33)37)25(36)32-19-10-12-38-13-11-19/h1-7,14,19,24H,8-13H2,(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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211842 (US9290459, 41.5 | US9670166, 41.5) Show SMILES OCC1(CC1)NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:11| Show InChI InChI=1S/C26H21F3N4O4/c27-26(28,29)17-2-1-3-18(12-17)32-19-8-9-20(35)21(19)22(16-6-4-15(13-30)5-7-16)33(24(32)37)23(36)31-25(14-34)10-11-25/h1-7,12,22,34H,8-11,14H2,(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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211754 (US9290459, 9A | US9670166, 9A) Show SMILES CS(=O)(=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/C22H16F3N3O4S/c1-33(31,32)28-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)27(21(28)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3/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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50032889 (CHEMBL3342779 | US9290459, 24 | US9670166, 24) Show SMILES CCN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:4| Show InChI InChI=1S/C24H20F3N3O4S/c1-3-29-22(17-8-7-14(13-28)11-20(17)35(2,33)34)21-18(9-10-19(21)31)30(23(29)32)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211780 (US9290459, 19 | US9670166, 19) Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CC(O)=O)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |c:20| Show InChI InChI=1S/C24H18F3N3O6S/c1-37(35,36)19-9-13(11-28)5-6-16(19)22-21-17(7-8-18(21)31)30(23(34)29(22)12-20(32)33)15-4-2-3-14(10-15)24(25,26)27/h2-6,9-10,22H,7-8,12H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211801 (US9290459, 26A | US9670166, 26A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)F)c1ccc(cc1)C#N |r,t:3| Show InChI InChI=1S/C22H17F2N3O2/c1-26-20(14-7-5-13(12-25)6-8-14)19-17(9-10-18(19)28)27(22(26)29)16-4-2-3-15(11-16)21(23)24/h2-8,11,20-21H,9-10H2,1H3/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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211775 (US9290459, 15.4A | US9670166, 15.4A) Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N |r,c:16| Show InChI InChI=1S/C22H17F2N3O4S/c1-32(30,31)18-9-12(11-25)5-6-15(18)20-19-16(7-8-17(19)28)27(22(29)26-20)14-4-2-3-13(10-14)21(23)24/h2-6,9-10,20-21H,7-8H2,1H3,(H,26,29)/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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211950 (US9290459, 30B | US9475779, C.2B | US9670166, 30B) Show SMILES CN1[C@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)=O)C#N |r,t:3| Show InChI InChI=1S/C23H18F3N3O3S/c1-28-21(16-7-6-13(12-27)10-19(16)33(2)32)20-17(8-9-18(20)30)29(22(28)31)15-5-3-4-14(11-15)23(24,25)26/h3-7,10-11,21H,8-9H2,1-2H3/t21-,33?/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	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50032889 (CHEMBL3342779 | US9290459, 24 | US9670166, 24) Show SMILES CCN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |t:4| Show InChI InChI=1S/C24H20F3N3O4S/c1-3-29-22(17-8-7-14(13-28)11-20(17)35(2,33)34)21-18(9-10-19(21)31)30(23(29)32)16-6-4-5-15(12-16)24(25,26)27/h4-8,11-12,22H,3,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211793 (US9290459, 24.1 | US9475779, E.2 | US9670166, 24.1) Show SMILES CS(=O)(=O)c1cc(ccc1C1N(CCCO)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N |c:20| Show InChI InChI=1S/C25H22F3N3O5S/c1-37(35,36)21-12-15(14-29)6-7-18(21)23-22-19(8-9-20(22)33)31(24(34)30(23)10-3-11-32)17-5-2-4-16(13-17)25(26,27)28/h2,4-7,12-13,23,32H,3,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211945 (US9290459, 55 | US9670166, 55) Show SMILES CC(C)(O)CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:10| Show InChI InChI=1S/C25H22F3N5O4/c1-24(2,37)13-31-22(35)33-21(15-5-3-14(12-29)4-6-15)20-17(7-8-18(20)34)32(23(33)36)16-9-10-30-19(11-16)25(26,27)28/h3-6,9-11,21,37H,7-8,13H2,1-2H3,(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	n/a	n/a	3	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211686 (US9290459, 2A | US9670166, 2A) Show SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:3| Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3/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	n/a	n/a	3	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50032887 (CHEMBL3342777 | US9290459, 2 | US9670166, 2) Show SMILES CN1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:3| Show InChI InChI=1S/C22H16F3N3O2/c1-27-20(14-7-5-13(12-26)6-8-14)19-17(9-10-18(19)29)28(21(27)30)16-4-2-3-15(11-16)22(23,24)25/h2-8,11,20H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50032888 (CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				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	n/a	n/a	4	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...				US Patent US9290459 (2016) BindingDB Entry DOI: 10.7270/Q2KS6QD5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50032888 (CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3) Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12| Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of neutrophil elastase in human plasma using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate by fluorescence assay				ACS Med Chem Lett 5: 1182-3 (2014) Article DOI: 10.1021/ml500346u BindingDB Entry DOI: 10.7270/Q2N29ZJC
					More data for this Ligand-Target Pair

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