Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 8032   

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))	BDBM230371 (US9340507, 29.2) Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(CCS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C26H26F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-8,11-12,14-15,25H,9-10,13H2,1-3H3,(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	3	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230370 (US9340507, 29.1) Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(CCS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H25F3N2O4S/c1-15(2)31-14-21(24(32)23(16(31)3)19-5-4-6-20(12-19)26(27,28)29)25(33)30-13-17-7-8-22-18(11-17)9-10-36(22,34)35/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230358 (US9340507, 23.2) Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C Show InChI InChI=1S/C26H29F2N3O4S/c1-5-20(6-2)31-15-22(26(33)30-13-19-10-11-21(14-29-19)36(4,34)35)24(32)23(16(31)3)17-8-7-9-18(12-17)25(27)28/h7-12,14-15,20,25H,5-6,13H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230375 (US9340507, 31) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(=O)(=O)C2CC2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H27F3N2O4S/c1-16(2)32-15-23(25(33)24(17(32)3)19-5-4-6-20(13-19)27(28,29)30)26(34)31-14-18-7-9-21(10-8-18)37(35,36)22-11-12-22/h4-10,13,15-16,22H,11-12,14H2,1-3H3,(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	5.20	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230382 (US9340507, 38) Show SMILES CC(C)n1cc(C(=O)NCc2cn3CCS(=O)(=O)c3n2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H23F3N4O4S/c1-13(2)30-12-18(21(32)27-10-17-11-29-7-8-35(33,34)22(29)28-17)20(31)19(14(30)3)15-5-4-6-16(9-15)23(24,25)26/h4-6,9,11-13H,7-8,10H2,1-3H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230365 (US9340507, 27.1 | US9340507, 27.1A | US9340507, 27...) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O3S/c1-15(2)30-14-21(24(32)29-13-17-8-10-20(11-9-17)34(4)33)23(31)22(16(30)3)18-6-5-7-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(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	5.40	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230368 (US9340507, 28.2) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C26H28F2N2O4S/c1-15(2)30-14-21(24(31)23(17(30)4)19-7-6-8-20(12-19)25(27)28)26(32)29-13-18-9-10-22(16(3)11-18)35(5,33)34/h6-12,14-15,25H,13H2,1-5H3,(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	6	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230367 (US9340507, 28.1) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H27F3N2O4S/c1-15(2)31-14-21(25(33)30-13-18-9-10-22(16(3)11-18)36(5,34)35)24(32)23(17(31)4)19-7-6-8-20(12-19)26(27,28)29/h6-12,14-15H,13H2,1-5H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230394 (US9340507, 50) Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(C=CS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)F |c:15| Show InChI InChI=1S/C26H24F2N2O4S/c1-15(2)30-14-21(24(31)23(16(30)3)19-5-4-6-20(12-19)25(27)28)26(32)29-13-17-7-8-22-18(11-17)9-10-35(22,33)34/h4-12,14-15,25H,13H2,1-3H3,(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	7.80	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230340 (US9340507, 15.1) Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H29F3N2O4S/c1-5-21(6-2)32-16-23(26(34)31-15-18-10-12-22(13-11-18)37(4,35)36)25(33)24(17(32)3)19-8-7-9-20(14-19)27(28,29)30/h7-14,16,21H,5-6,15H2,1-4H3,(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	8	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230341 (US9340507, 15.2) Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C27H30F2N2O4S/c1-5-21(6-2)31-16-23(27(33)30-15-18-10-12-22(13-11-18)36(4,34)35)25(32)24(17(31)3)19-8-7-9-20(14-19)26(28)29/h7-14,16,21,26H,5-6,15H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230332 (US9340507, 11.1) Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C26H28F2N2O4S/c1-5-16(2)30-15-22(26(32)29-14-18-9-11-21(12-10-18)35(4,33)34)24(31)23(17(30)3)19-7-6-8-20(13-19)25(27)28/h6-13,15-16,25H,5,14H2,1-4H3,(H,29,32)/t16-/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	8	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230386 (US9340507, 42) Show SMILES COC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C26H28F2N2O5S/c1-16(15-35-3)30-14-22(26(32)29-13-18-8-10-21(11-9-18)36(4,33)34)24(31)23(17(30)2)19-6-5-7-20(12-19)25(27)28/h5-12,14,16,25H,13,15H2,1-4H3,(H,29,32)/t16-/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	8.10	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230334 (US9340507, 12.1) Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H27F3N2O4S/c1-5-16(2)31-15-22(25(33)30-14-18-9-11-21(12-10-18)36(4,34)35)24(32)23(17(31)3)19-7-6-8-20(13-19)26(27,28)29/h6-13,15-16H,5,14H2,1-4H3,(H,30,33)/t16-/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	9	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230385 (US9340507, 41) Show SMILES COC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H27F3N2O5S/c1-16(15-36-3)31-14-22(25(33)30-13-18-8-10-21(11-9-18)37(4,34)35)24(32)23(17(31)2)19-6-5-7-20(12-19)26(27,28)29/h5-12,14,16H,13,15H2,1-4H3,(H,30,33)/t16-/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	9	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230365 (US9340507, 27.1 | US9340507, 27.1A | US9340507, 27...) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O3S/c1-15(2)30-14-21(24(32)29-13-17-8-10-20(11-9-17)34(4)33)23(31)22(16(30)3)18-6-5-7-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(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	9	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230313 (US9340507, 4.8) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C25H26F2N2O3S/c1-15(2)29-14-21(25(31)28-13-17-8-10-20(11-9-17)33(4)32)23(30)22(16(29)3)18-6-5-7-19(12-18)24(26)27/h5-12,14-15,24H,13H2,1-4H3,(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	10	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230350 (US9340507, 19.2) Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C |r| Show InChI InChI=1S/C25H27F2N3O4S/c1-5-15(2)30-14-21(25(32)29-12-19-9-10-20(13-28-19)35(4,33)34)23(31)22(16(30)3)17-7-6-8-18(11-17)24(26)27/h6-11,13-15,24H,5,12H2,1-4H3,(H,29,32)/t15-/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	10	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230349 (US9340507, 19.1) Show SMILES CC[C@@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C |r| Show InChI InChI=1S/C25H26F3N3O4S/c1-5-15(2)31-14-21(24(33)30-12-19-9-10-20(13-29-19)36(4,34)35)23(32)22(16(31)3)17-7-6-8-18(11-17)25(26,27)28/h6-11,13-15H,5,12H2,1-4H3,(H,30,33)/t15-/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	10	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230392 (US9340507, 48) Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(C=CS3(=O)=O)c2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F |c:15| Show InChI InChI=1S/C26H23F3N2O4S/c1-15(2)31-14-21(24(32)23(16(31)3)19-5-4-6-20(12-19)26(27,28)29)25(33)30-13-17-7-8-22-18(11-17)9-10-36(22,34)35/h4-12,14-15H,13H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230353 (US9340507, 20.2) Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C |r| Show InChI InChI=1S/C25H27F2N3O4S/c1-5-15(2)30-14-21(25(32)29-12-19-9-10-20(13-28-19)35(4,33)34)23(31)22(16(30)3)17-7-6-8-18(11-17)24(26)27/h6-11,13-15,24H,5,12H2,1-4H3,(H,29,32)/t15-/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	11	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230374 (US9340507, 30.2) Show SMILES CCc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C(C)C)C(=O)NCc1ccc(cc1)S(=O)(=O)CC Show InChI InChI=1S/C27H29F3N2O4S/c1-5-23-24(19-8-7-9-20(14-19)27(28,29)30)25(33)22(16-32(23)17(3)4)26(34)31-15-18-10-12-21(13-11-18)37(35,36)6-2/h7-14,16-17H,5-6,15H2,1-4H3,(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	11	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230319 (US9340507, 4.14) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C25H26F2N2O4S/c1-15(2)29-14-21(25(31)28-13-17-8-10-20(11-9-17)34(4,32)33)23(30)22(16(29)3)18-6-5-7-19(12-18)24(26)27/h5-12,14-15,24H,13H2,1-4H3,(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	11	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230287 (US9340507, 1.2) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H25F3N2O4S/c1-15(2)30-14-21(24(32)29-13-17-8-10-20(11-9-17)35(4,33)34)23(31)22(16(30)3)18-6-5-7-19(12-18)25(26,27)28/h5-12,14-15H,13H2,1-4H3,(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	12	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230335 (US9340507, 12.2) Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C26H28F2N2O4S/c1-5-16(2)30-15-22(26(32)29-14-18-9-11-21(12-10-18)35(4,33)34)24(31)23(17(30)3)19-7-6-8-20(13-19)25(27)28/h6-13,15-16,25H,5,14H2,1-4H3,(H,29,32)/t16-/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	12	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230357 (US9340507, 23.1) Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C26H28F3N3O4S/c1-5-20(6-2)32-15-22(25(34)31-13-19-10-11-21(14-30-19)37(4,35)36)24(33)23(16(32)3)17-8-7-9-18(12-17)26(27,28)29/h7-12,14-15,20H,5-6,13H2,1-4H3,(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	12	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230373 (US9340507, 30.1) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cn(C(C)C)c(C)c(-c3cccc(c3)C(F)(F)F)c2=O)cc1 Show InChI InChI=1S/C26H27F3N2O4S/c1-5-36(34,35)21-11-9-18(10-12-21)14-30-25(33)22-15-31(16(2)3)17(4)23(24(22)32)19-7-6-8-20(13-19)26(27,28)29/h6-13,15-16H,5,14H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230376 (US9340507, 32) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(F)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-19(24(33)30-12-16-8-9-21(20(26)10-16)36(4,34)35)23(32)22(15(31)3)17-6-5-7-18(11-17)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230345 (US9340507, 17.2) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)F)c1C Show InChI InChI=1S/C24H25F2N3O4S/c1-14(2)29-13-20(24(31)28-11-18-8-9-19(12-27-18)34(4,32)33)22(30)21(15(29)3)16-6-5-7-17(10-16)23(25)26/h5-10,12-14,23H,11H2,1-4H3,(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	15	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230352 (US9340507, 20.1) Show SMILES CC[C@H](C)n1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(-c2cccc(c2)C(F)(F)F)c1C |r| Show InChI InChI=1S/C25H26F3N3O4S/c1-5-15(2)31-14-21(24(33)30-12-19-9-10-20(13-29-19)36(4,34)35)23(32)22(16(31)3)17-7-6-8-18(11-17)25(26,27)28/h6-11,13-15H,5,12H2,1-4H3,(H,30,33)/t15-/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	15	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230372 (US9340507, 29.3) Show SMILES CC(C)n1cc(C(=O)NCc2ccc3c(CCS3(=O)=O)c2)c(=O)c(c1C)-c1ccnc(c1)C(F)(F)F Show InChI InChI=1S/C25H24F3N3O4S/c1-14(2)31-13-19(23(32)22(15(31)3)18-6-8-29-21(11-18)25(26,27)28)24(33)30-12-16-4-5-20-17(10-16)7-9-36(20,34)35/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230377 (US9340507, 33) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(F)c2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C25H25F3N2O4S/c1-14(2)30-13-19(23(31)22(15(30)3)17-6-5-7-18(11-17)24(27)28)25(32)29-12-16-8-9-21(20(26)10-16)35(4,33)34/h5-11,13-14,24H,12H2,1-4H3,(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	16	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230379 (US9340507, 35) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2F)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C25H25F3N2O4S/c1-14(2)30-13-20(23(31)22(15(30)3)16-6-5-7-17(10-16)24(27)28)25(32)29-12-18-8-9-19(11-21(18)26)35(4,33)34/h5-11,13-14,24H,12H2,1-4H3,(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	17	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230316 (US9340507, 4.11) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C28H28F2N4O2/c1-18(2)34-16-24(26(35)25(19(34)3)22-5-4-6-23(13-22)27(29)30)28(36)32-14-20-7-9-21(10-8-20)15-33-12-11-31-17-33/h4-13,16-18,27H,14-15H2,1-3H3,(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	18	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230328 (US9340507, 8.2) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H27F3N2O4S/c1-17-24(19-6-5-7-20(14-19)27(28,29)30)25(33)23(16-32(17)21-8-3-4-9-21)26(34)31-15-18-10-12-22(13-11-18)37(2,35)36/h5-7,10-14,16,21H,3-4,8-9,15H2,1-2H3,(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	18	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230330 (US9340507, 9.2) Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1C1CCCC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H28F2N2O4S/c1-17-24(19-6-5-7-20(14-19)26(28)29)25(32)23(16-31(17)21-8-3-4-9-21)27(33)30-15-18-10-12-22(13-11-18)36(2,34)35/h5-7,10-14,16,21,26H,3-4,8-9,15H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230380 (US9340507, 36) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C26H27F3N2O4S/c1-15(2)31-14-22(25(33)30-13-19-9-10-21(11-16(19)3)36(5,34)35)24(32)23(17(31)4)18-7-6-8-20(12-18)26(27,28)29/h6-12,14-15H,13H2,1-5H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230321 (US9340507, 5.2) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(c1C)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-19(24(33)30-12-16-5-8-18(9-6-16)36(4,34)35)23(32)22(15(31)3)17-7-10-21(26)20(11-17)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230338 (US9340507, 14.1) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H25F3N2O5S/c1-16-23(18-4-3-5-19(12-18)26(27,28)29)24(32)22(14-31(16)20-10-11-36-15-20)25(33)30-13-17-6-8-21(9-7-17)37(2,34)35/h3-9,12,14,20H,10-11,13,15H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230294 (US9340507, 2.2) Show SMILES CCCn1cc(C(=O)NCc2ccc(cn2)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O4S/c1-4-10-30-14-20(23(32)29-12-18-8-9-19(13-28-18)35(3,33)34)22(31)21(15(30)2)16-6-5-7-17(11-16)24(25,26)27/h5-9,11,13-14H,4,10,12H2,1-3H3,(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	20	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230305 (US9340507, 3.9) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H30F3N3O3/c1-18(2)35-17-24(27(37)26(19(35)3)22-6-4-7-23(14-22)29(30,31)32)28(38)33-15-20-9-11-21(12-10-20)16-34-13-5-8-25(34)36/h4,6-7,9-12,14,17-18H,5,8,13,15-16H2,1-3H3,(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230318 (US9340507, 4.13) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C29H31F2N3O3/c1-18(2)34-17-24(27(36)26(19(34)3)22-6-4-7-23(14-22)28(30)31)29(37)32-15-20-9-11-21(12-10-20)16-33-13-5-8-25(33)35/h4,6-7,9-12,14,17-18,28H,5,8,13,15-16H2,1-3H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230364 (US9340507, 26) Show SMILES CC[C@H](C)n1cc(C(=O)NCc2nnc(C)o2)c(=O)c(-c2cccc(c2)C(F)F)c1C |r| Show InChI InChI=1S/C22H24F2N4O3/c1-5-12(2)28-11-17(22(30)25-10-18-27-26-14(4)31-18)20(29)19(13(28)3)15-7-6-8-16(9-15)21(23)24/h6-9,11-12,21H,5,10H2,1-4H3,(H,25,30)/t12-/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	22	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230342 (US9340507, 15.3) Show SMILES CCC(CC)n1cc(C(=O)NCc2ccc(cc2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C26H28F3N3O4S/c1-5-19(6-2)32-15-21(25(34)31-14-17-7-9-20(10-8-17)37(4,35)36)24(33)23(16(32)3)18-11-12-30-22(13-18)26(27,28)29/h7-13,15,19H,5-6,14H2,1-4H3,(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	24	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230378 (US9340507, 34) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2F)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H24F4N2O4S/c1-14(2)31-13-20(24(33)30-12-17-8-9-19(11-21(17)26)36(4,34)35)23(32)22(15(31)3)16-6-5-7-18(10-16)25(27,28)29/h5-11,13-14H,12H2,1-4H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230381 (US9340507, 37) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=O)c(=O)c(c1C)-c1cccc(c1)C(F)F Show InChI InChI=1S/C26H28F2N2O4S/c1-15(2)30-14-22(24(31)23(17(30)4)18-7-6-8-19(12-18)25(27)28)26(32)29-13-20-9-10-21(11-16(20)3)35(5,33)34/h6-12,14-15,25H,13H2,1-5H3,(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	27	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230339 (US9340507, 14.2) Show SMILES Cc1c(-c2cccc(c2)C(F)F)c(=O)c(cn1C1CCOC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C26H26F2N2O5S/c1-16-23(18-4-3-5-19(12-18)25(27)28)24(31)22(14-30(16)20-10-11-35-15-20)26(32)29-13-17-6-8-21(9-7-17)36(2,33)34/h3-9,12,14,20,25H,10-11,13,15H2,1-2H3,(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	27	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230356 (US9340507, 22) Show SMILES Cc1c(-c2cccc(c2)C(F)(F)F)c(=O)c(cn1C1CCOC1)C(=O)NCc1ccc(cn1)S(C)(=O)=O Show InChI InChI=1S/C25H24F3N3O5S/c1-15-22(16-4-3-5-17(10-16)25(26,27)28)23(32)21(13-31(15)19-8-9-36-14-19)24(33)30-11-18-6-7-20(12-29-18)37(2,34)35/h3-7,10,12-13,19H,8-9,11,14H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230369 (US9340507, 28.3) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(c(C)c2)S(C)(=O)=O)c(=O)c(-c2ccnc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C25H26F3N3O4S/c1-14(2)31-13-19(24(33)30-12-17-6-7-20(15(3)10-17)36(5,34)35)23(32)22(16(31)4)18-8-9-29-21(11-18)25(26,27)28/h6-11,13-14H,12H2,1-5H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM230308 (US9340507, 4.3) Show SMILES CC(C)n1cc(C(=O)NCc2nnc(C)o2)c(=O)c(-c2cccc(c2)C(F)F)c1C Show InChI InChI=1S/C21H22F2N4O3/c1-11(2)27-10-16(21(29)24-9-17-26-25-13(4)30-17)19(28)18(12(27)3)14-6-5-7-15(8-14)20(22)23/h5-8,10-11,20H,9H2,1-4H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5, containing 0.01% BSA. Test...				US Patent US9340507 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81RD
					More data for this Ligand-Target Pair

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