Compile Data Set for Download or QSAR

Found 1798 hits with Last Name = 'gnamm' and Initial = 'c'   

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
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM311138 (example 6.09 on page 559 of WO15017610) Show SMILES C[C@@H](Oc1cc(cn2ncc(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H27N5O2/c1-13-8-23-25-11-16(17-10-24-26(12-17)21(3,4)5)6-18(20(13)25)28-14(2)15-7-19(27)22-9-15/h6,8,10-12,14-15H,7,9H2,1-5H3,(H,22,27)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human SYK (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag. The test compounds were dissolved in 100% D...				US Patent US10155751 (2018) BindingDB Entry DOI: 10.7270/Q2PK0J60
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM311136 (example 5.20 on page 506 of WO15017610) Show SMILES C[C@@H](Oc1nc(cn2ncc(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C20H26N6O2/c1-12-7-22-25-11-16(15-9-23-26(10-15)20(3,4)5)24-19(18(12)25)28-13(2)14-6-17(27)21-8-14/h7,9-11,13-14H,6,8H2,1-5H3,(H,21,27)/t13-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human SYK (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag. The test compounds were dissolved in 100% D...				US Patent US10155751 (2018) BindingDB Entry DOI: 10.7270/Q2PK0J60
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM173054 (US9096579, 156) Show SMILES Cc1cc(Nc2nccc(n2)-c2cn(C)cn2)cc2cc([nH]c12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C24H22N8O/c1-15-9-18(29-24-26-8-6-19(31-24)21-13-32(2)14-28-21)10-16-11-20(30-22(15)16)23(33)27-12-17-5-3-4-7-25-17/h3-11,13-14,30H,12H2,1-2H3,(H,27,33)(H,26,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM173073 (US9096579, 175) Show SMILES Cc1cc(Nc2nccc(n2)-c2cn(C)cn2)cc2cc([nH]c12)-c1nnco1 Show InChI InChI=1S/C19H16N8O/c1-11-5-13(6-12-7-15(24-17(11)12)18-26-22-10-28-18)23-19-20-4-3-14(25-19)16-8-27(2)9-21-16/h3-10,24H,1-2H3,(H,20,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172902 (US9096579, 4) Show SMILES Cc1cc(Nc2nccc(n2)-c2cn(C)cn2)cc2cc([nH]c12)C(N)=O Show InChI InChI=1S/C18H17N7O/c1-10-5-12(6-11-7-14(17(19)26)23-16(10)11)22-18-20-4-3-13(24-18)15-8-25(2)9-21-15/h3-9,23H,1-2H3,(H2,19,26)(H,20,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172932 (US9096579, 34) Show SMILES CN1C(=O)COCC11CCN(CC1)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(C)c2[nH]1 Show InChI InChI=1S/C27H30N8O3/c1-17-10-19(30-26-28-7-4-20(32-26)22-13-33(2)16-29-22)11-18-12-21(31-24(17)18)25(37)35-8-5-27(6-9-35)15-38-14-23(36)34(27)3/h4,7,10-13,16,31H,5-6,8-9,14-15H2,1-3H3,(H,28,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172939 (US9096579, 41) Show SMILES CCN(CC)C1CN(C1)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1 Show InChI InChI=1S/C24H27ClN8O/c1-4-32(5-2)17-11-33(12-17)23(34)20-9-15-8-16(10-18(25)22(15)29-20)28-24-26-7-6-19(30-24)21-13-31(3)14-27-21/h6-10,13-14,17,29H,4-5,11-12H2,1-3H3,(H,26,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM173021 (US9096579, 123) Show SMILES Cc1cc(Nc2nccc(n2)-c2cn(C)cn2)cc2cc([nH]c12)C(=O)NCc1nc2ccncc2[nH]1 Show InChI InChI=1S/C25H22N10O/c1-14-7-16(30-25-27-6-4-18(34-25)21-12-35(2)13-29-21)8-15-9-19(33-23(14)15)24(36)28-11-22-31-17-3-5-26-10-20(17)32-22/h3-10,12-13,33H,11H2,1-2H3,(H,28,36)(H,31,32)(H,27,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM173008 (US9096579, 110) Show SMILES CCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(n4)-c4cn(C)cn4)cc(C)c3[nH]2)n1 Show InChI InChI=1S/C24H25N9O/c1-4-33-8-6-17(31-33)12-26-23(34)20-11-16-10-18(9-15(2)22(16)29-20)28-24-25-7-5-19(30-24)21-13-32(3)14-27-21/h5-11,13-14,29H,4,12H2,1-3H3,(H,26,34)(H,25,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172947 (US9096579, 49) Show SMILES CN1C(=O)COCC11CCN(CC1)C(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(Cl)c2[nH]1 Show InChI InChI=1S/C26H27ClN8O3/c1-33-12-21(29-15-33)19-3-6-28-25(32-19)30-17-9-16-10-20(31-23(16)18(27)11-17)24(37)35-7-4-26(5-8-35)14-38-13-22(36)34(26)2/h3,6,9-12,15,31H,4-5,7-8,13-14H2,1-2H3,(H,28,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM311139 (example 3B.22 on page 219 of WO15017610) Show SMILES C[C@@H](Oc1cc(cc2ncn(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C21H27N5O2/c1-13(15-8-19(27)22-9-15)28-18-7-14(6-17-20(18)25(5)12-23-17)16-10-24-26(11-16)21(2,3)4/h6-7,10-13,15H,8-9H2,1-5H3,(H,22,27)/t13-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human SYK (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag. The test compounds were dissolved in 100% D...				US Patent US10155751 (2018) BindingDB Entry DOI: 10.7270/Q2PK0J60
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172943 (US9096579, 45) Show SMILES CN1CCN(C2CCN(CC2)C(=O)c2cc3cc(Nc4nccc(n4)-c4cn(C)cn4)cc(Cl)c3[nH]2)C1=O Show InChI InChI=1S/C26H28ClN9O2/c1-33-14-22(29-15-33)20-3-6-28-25(32-20)30-17-11-16-12-21(31-23(16)19(27)13-17)24(37)35-7-4-18(5-8-35)36-10-9-34(2)26(36)38/h3,6,11-15,18,31H,4-5,7-10H2,1-2H3,(H,28,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM173019 (US9096579, 121) Show SMILES Cc1cc(Nc2nccc(n2)-c2cn(C)cn2)cc2cc([nH]c12)C(=O)NCc1ccccc1F Show InChI InChI=1S/C25H22FN7O/c1-15-9-18(30-25-27-8-7-20(32-25)22-13-33(2)14-29-22)10-17-11-21(31-23(15)17)24(34)28-12-16-5-3-4-6-19(16)26/h3-11,13-14,31H,12H2,1-2H3,(H,28,34)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [342-635] (Homo sapiens (Human))	BDBM311126 (US10155751, Example 13) Show SMILES C[C@@H](Oc1cc(cc2nn(C)c(C)c12)-c1cnn(c1)C(C)(C)C)[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C22H29N5O2/c1-13-21-18(25-26(13)6)7-15(17-11-24-27(12-17)22(3,4)5)8-19(21)29-14(2)16-9-20(28)23-10-16/h7-8,11-12,14,16H,9-10H2,1-6H3,(H,23,28)/t14-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human SYK (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag. The test compounds were dissolved in 100% D...				US Patent US10155751 (2018) BindingDB Entry DOI: 10.7270/Q2PK0J60
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172927 (US9096579, 29) Show SMILES CC(C)n1cnc(c1)-c1ccnc(Nc2cc(Cl)c3[nH]c(cc3c2)C(=O)N2CCN(C)CC2)n1 Show InChI InChI=1S/C24H27ClN8O/c1-15(2)33-13-21(27-14-33)19-4-5-26-24(30-19)28-17-10-16-11-20(29-22(16)18(25)12-17)23(34)32-8-6-31(3)7-9-32/h4-5,10-15,29H,6-9H2,1-3H3,(H,26,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM173073 (US9096579, 175) Show SMILES Cc1cc(Nc2nccc(n2)-c2cn(C)cn2)cc2cc([nH]c12)-c1nnco1 Show InChI InChI=1S/C19H16N8O/c1-11-5-13(6-12-7-15(24-17(11)12)18-26-22-10-28-18)23-19-20-4-3-14(25-19)16-8-27(2)9-21-16/h3-10,24H,1-2H3,(H,20,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172915 (US9096579, 17) Show SMILES CC(C)n1cnc(c1)-c1ccnc(Nc2cc(Cl)c3[nH]c(cc3c2)C(=O)N(C)C)n1 Show InChI InChI=1S/C21H22ClN7O/c1-12(2)29-10-18(24-11-29)16-5-6-23-21(27-16)25-14-7-13-8-17(20(30)28(3)4)26-19(13)15(22)9-14/h5-12,26H,1-4H3,(H,23,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172906 (US9096579, 8) Show SMILES CNC(=O)c1cc2cc(Nc3nccc(n3)-c3cn(C)cn3)cc(C)c2[nH]1 Show InChI InChI=1S/C19H19N7O/c1-11-6-13(7-12-8-15(18(27)20-2)24-17(11)12)23-19-21-5-4-14(25-19)16-9-26(3)10-22-16/h4-10,24H,1-3H3,(H,20,27)(H,21,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM173010 (US9096579, 112) Show SMILES Cc1c(CNC(=O)c2cc3cc(Nc4nccc(n4)-c4cn(C)cn4)cc(C)c3[nH]2)cnn1C Show InChI InChI=1S/C24H25N9O/c1-14-7-18(29-24-25-6-5-19(31-24)21-12-32(3)13-27-21)8-16-9-20(30-22(14)16)23(34)26-10-17-11-28-33(4)15(17)2/h5-9,11-13,30H,10H2,1-4H3,(H,26,34)(H,25,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM172902 (US9096579, 4) Show SMILES Cc1cc(Nc2nccc(n2)-c2cn(C)cn2)cc2cc([nH]c12)C(N)=O Show InChI InChI=1S/C18H17N7O/c1-10-5-12(6-11-7-14(17(19)26)23-16(10)11)22-18-20-4-3-13(24-18)15-8-25(2)9-21-15/h3-9,23H,1-2H3,(H2,19,26)(H,20,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human Syk (amino acids 342-635) was expressed as a fusion protein with an N-terminal GST tag, affinity-purified and deep-frozen at a conc...				US Patent US9096579 (2015) BindingDB Entry DOI: 10.7270/Q2F76B9H
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405516 (USRE47493, Example 70.14) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCOCC1 |c:16| Show InChI InChI=1S/C28H25F3N4O4/c29-28(30,31)19-3-1-4-21(15-19)34-22-5-2-6-23(36)24(22)25(18-9-7-17(16-32)8-10-18)35(27(34)38)26(37)33-20-11-13-39-14-12-20/h1,3-4,7-10,15,20,25H,2,5-6,11-14H2,(H,33,37)	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405517 (USRE47493, Example 70.15) Show SMILES CC1CC(CNC(=O)N2C(C3=C(CCCC3=O)N(C2=O)c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C1 |t:10,(8.93,-3.24,;8.05,-1.98,;6.58,-1.51,;6.58,.03,;5.25,.8,;4,-.1,;2.67,.67,;2.67,2.21,;1.33,-.1,;,.67,;-1.33,-.1,;-1.33,-1.64,;-2.67,-2.41,;-4,-1.64,;-4,-.1,;-2.67,.67,;-2.67,2.21,;,-2.41,;1.33,-1.64,;2.67,-2.41,;,-3.95,;-1.33,-4.72,;-1.33,-6.26,;,-7.03,;1.38,-6.29,;1.33,-4.72,;2.72,-7.06,;4.05,-7.83,;1.95,-8.39,;3.49,-5.73,;,2.21,;1.33,2.98,;1.33,4.52,;,5.29,;-1.33,4.52,;-1.33,2.98,;,6.83,;,8.37,;8.09,-.29,)| Show InChI InChI=1S/C29H27F3N4O3/c1-17-12-19(13-17)16-34-27(38)36-26(20-10-8-18(15-33)9-11-20)25-23(6-3-7-24(25)37)35(28(36)39)22-5-2-4-21(14-22)29(30,31)32/h2,4-5,8-11,14,17,19,26H,3,6-7,12-13,16H2,1H3,(H,34,38)	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405520 (USRE47493, Example 70.18) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CS(=O)(=O)C1 |c:16| Show InChI InChI=1S/C26H21F3N4O5S/c27-26(28,29)17-3-1-4-19(11-17)32-20-5-2-6-21(34)22(20)23(16-9-7-15(12-30)8-10-16)33(25(32)36)24(35)31-18-13-39(37,38)14-18/h1,3-4,7-11,18,23H,2,5-6,13-14H2,(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	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405521 (USRE47493, Example 70.19) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCS(=O)(=O)C1 |c:16| Show InChI InChI=1S/C27H23F3N4O5S/c28-27(29,30)18-3-1-4-20(13-18)33-21-5-2-6-22(35)23(21)24(17-9-7-16(14-31)8-10-17)34(26(33)37)25(36)32-19-11-12-40(38,39)15-19/h1,3-4,7-10,13,19,24H,2,5-6,11-12,15H2,(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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405522 (USRE47493, Example 70.20) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCCS(=O)(=O)C1 |c:16| Show InChI InChI=1S/C28H25F3N4O5S/c29-28(30,31)19-4-1-6-21(14-19)34-22-7-2-8-23(36)24(22)25(18-11-9-17(15-32)10-12-18)35(27(34)38)26(37)33-20-5-3-13-41(39,40)16-20/h1,4,6,9-12,14,20,25H,2-3,5,7-8,13,16H2,(H,33,37)	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405523 (USRE47493, Example 71) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCS(=O)CC1 |c:16| Show InChI InChI=1S/C28H25F3N4O4S/c29-28(30,31)19-3-1-4-21(15-19)34-22-5-2-6-23(36)24(22)25(18-9-7-17(16-32)8-10-18)35(27(34)38)26(37)33-20-11-13-40(39)14-12-20/h1,3-4,7-10,15,20,25H,2,5-6,11-14H2,(H,33,37)	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405524 (USRE47493, Example 72) Show SMILES FC(F)(F)c1cccc(c1)N1C(=O)N(C(C2=C1CCCC2=O)c1ccc(cc1)C#N)C(=O)NC1CCS(=N)(=O)CC1 |c:16| Show InChI InChI=1S/C28H26F3N5O4S/c29-28(30,31)19-3-1-4-21(15-19)35-22-5-2-6-23(37)24(22)25(18-9-7-17(16-32)8-10-18)36(27(35)39)26(38)34-20-11-13-41(33,40)14-12-20/h1,3-4,7-10,15,20,25,33H,2,5-6,11-14H2,(H,34,38)	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405525 (USRE47493, Example 73) Show SMILES CNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C)C#N |t:6| Show InChI InChI=1S/C25H21F3N4O3/c1-14-11-15(13-29)9-10-18(14)22-21-19(7-4-8-20(21)33)31(24(35)32(22)23(34)30-2)17-6-3-5-16(12-17)25(26,27)28/h3,5-6,9-12,22H,4,7-8H2,1-2H3,(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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405526 (USRE47493, Example 74) Show SMILES CCNC(=O)N1C(C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1C)C#N |t:7| Show InChI InChI=1S/C26H23F3N4O3/c1-3-31-24(35)33-23(19-11-10-16(14-30)12-15(19)2)22-20(8-5-9-21(22)34)32(25(33)36)18-7-4-6-17(13-18)26(27,28)29/h4,6-7,10-13,23H,3,5,8-9H2,1-2H3,(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	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405527 (USRE47493, Example 75) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(N)=O)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:19| Show InChI InChI=1S/C24H21F3N4O5S/c1-37(35,36)19-10-13(12-28)8-9-16(19)21-20-17(6-3-7-18(20)32)30(23(34)31(21)22(29)33)15-5-2-4-14(11-15)24(25,26)27/h2,4-5,8-11,21,35-36H,3,6-7H2,1H3,(H2,29,33)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405528 (USRE47493, Example 75.1) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NCC#C)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:22| Show InChI InChI=1S/C27H23F3N4O5S/c1-3-12-32-25(36)34-24(19-11-10-16(15-31)13-22(19)40(2,38)39)23-20(8-5-9-21(23)35)33(26(34)37)18-7-4-6-17(14-18)27(28,29)30/h1,4,6-7,10-11,13-14,24,38-39H,5,8-9,12H2,2H3,(H,32,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405529 (USRE47493, Example 75.2) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:23| Show InChI InChI=1S/C27H25F3N4O5S/c1-40(38,39)22-12-15(14-31)8-11-19(22)24-23-20(6-3-7-21(23)35)33(18-5-2-4-16(13-18)27(28,29)30)26(37)34(24)25(36)32-17-9-10-17/h2,4-5,8,11-13,17,24,38-39H,3,6-7,9-10H2,1H3,(H,32,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405530 (USRE47493, Example 75.3) Show SMILES CC(C)NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:8| Show InChI InChI=1S/C27H27F3N4O5S/c1-15(2)32-25(36)34-24(19-11-10-16(14-31)12-22(19)40(3,38)39)23-20(8-5-9-21(23)35)33(26(34)37)18-7-4-6-17(13-18)27(28,29)30/h4,6-7,10-13,15,24,38-39H,5,8-9H2,1-3H3,(H,32,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405531 (USRE47493, Example 75.4) Show SMILES CC(NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N)C#N |r,t:7| Show InChI InChI=1S/C27H24F3N5O5S/c1-15(13-31)33-25(37)35-24(19-10-9-16(14-32)11-22(19)41(2,39)40)23-20(7-4-8-21(23)36)34(26(35)38)18-6-3-5-17(12-18)27(28,29)30/h3,5-6,9-12,15,24,39-40H,4,7-8H2,1-2H3,(H,33,37)/t15?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405532 (USRE47493, Example 75.5) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2COC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:24| Show InChI InChI=1S/C27H25F3N4O6S/c1-41(38,39)22-10-15(12-31)8-9-19(22)24-23-20(6-3-7-21(23)35)33(18-5-2-4-16(11-18)27(28,29)30)26(37)34(24)25(36)32-17-13-40-14-17/h2,4-5,8-11,17,24,38-39H,3,6-7,13-14H2,1H3,(H,32,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405533 (USRE47493, Example 75.6) Show SMILES COCCNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:9| Show InChI InChI=1S/C27H27F3N4O6S/c1-40-12-11-32-25(36)34-24(19-10-9-16(15-31)13-22(19)41(2,38)39)23-20(7-4-8-21(23)35)33(26(34)37)18-6-3-5-17(14-18)27(28,29)30/h3,5-6,9-10,13-14,24,38-39H,4,7-8,11-12H2,1-2H3,(H,32,36)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405534 (USRE47493, Example 75.7) Show SMILES CC(F)CNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:9| Show InChI InChI=1S/C27H26F4N4O5S/c1-15(28)14-33-25(37)35-24(19-10-9-16(13-32)11-22(19)41(2,39)40)23-20(7-4-8-21(23)36)34(26(35)38)18-6-3-5-17(12-18)27(29,30)31/h3,5-6,9-12,15,24,39-40H,4,7-8,14H2,1-2H3,(H,33,37)/t15?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405535 (USRE47493, Example 75.8) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2(CC2)C#N)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C28H24F3N5O5S/c1-42(40,41)22-12-16(14-32)8-9-19(22)24-23-20(6-3-7-21(23)37)35(18-5-2-4-17(13-18)28(29,30)31)26(39)36(24)25(38)34-27(15-33)10-11-27/h2,4-5,8-9,12-13,24,40-41H,3,6-7,10-11H2,1H3,(H,34,38)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405536 (USRE47493, Example 75.9) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2C3CC2C3)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:26,(4,4.09,;2.67,3.32,;1.9,1.98,;3.44,1.98,;1.33,4.09,;1.33,5.63,;,6.4,;-1.33,5.63,;-1.33,4.09,;,3.32,;,-.44,;1.33,-1.21,;2.67,-.44,;2.67,1.1,;4,-1.21,;5.41,-.59,;6.18,.75,;7.51,-.02,;6.74,-1.36,;6.8,-.17,;1.33,-2.75,;2.67,-3.52,;,-3.52,;-1.33,-2.75,;-1.33,-1.21,;-2.67,-.44,;-2.67,1.1,;-4,-1.21,;-4,-2.75,;-2.67,-3.52,;,-5.06,;-1.33,-5.83,;-1.33,-7.37,;,-8.14,;1.38,-7.4,;1.33,-5.83,;2.72,-8.17,;4.05,-8.94,;1.95,-9.5,;3.49,-6.84,;,7.94,;,9.48,)| Show InChI InChI=1S/C29H27F3N4O5S/c1-42(40,41)23-10-15(14-33)8-9-20(23)26-24-21(6-3-7-22(24)37)35(19-5-2-4-18(13-19)29(30,31)32)28(39)36(26)27(38)34-25-16-11-17(25)12-16/h2,4-5,8-10,13,16-17,25-26,40-41H,3,6-7,11-12H2,1H3,(H,34,38)/t16?,17?,25?,26-/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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405537 (USRE47493, Example 75.10) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCOC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:25| Show InChI InChI=1S/C28H27F3N4O6S/c1-42(39,40)23-12-16(14-32)8-9-20(23)25-24-21(6-3-7-22(24)36)34(19-5-2-4-17(13-19)28(29,30)31)27(38)35(25)26(37)33-18-10-11-41-15-18/h2,4-5,8-9,12-13,18,25,39-40H,3,6-7,10-11,15H2,1H3,(H,33,37)/t18?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405538 (USRE47493, Example 75.11) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CC(O)C2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,wU:10.10,c:25,(4,4.09,;2.67,3.32,;1.9,1.98,;3.44,1.98,;1.33,4.09,;1.33,5.63,;,6.4,;-1.33,5.63,;-1.33,4.09,;,3.32,;,-.44,;1.33,-1.21,;2.67,-.44,;2.67,1.1,;4,-1.21,;5.33,-.44,;6.1,.89,;7.57,.41,;9,.98,;6.74,-1.07,;1.33,-2.75,;2.67,-3.52,;,-3.52,;-1.33,-2.75,;-1.33,-1.21,;-2.67,-.44,;-2.67,1.1,;-4,-1.21,;-4,-2.75,;-2.67,-3.52,;,-5.06,;-1.33,-5.83,;-1.33,-7.37,;,-8.14,;1.38,-7.4,;1.33,-5.83,;2.72,-8.17,;4.05,-8.94,;1.95,-9.5,;3.49,-6.84,;,7.94,;,9.48,)| Show InChI InChI=1S/C28H27F3N4O6S/c1-42(40,41)23-10-15(14-32)8-9-20(23)25-24-21(6-3-7-22(24)37)34(18-5-2-4-16(11-18)28(29,30)31)27(39)35(25)26(38)33-17-12-19(36)13-17/h2,4-5,8-11,17,19,25,36,40-41H,3,6-7,12-13H2,1H3,(H,33,38)/t17?,19?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405539 (USRE47493, Example 75.12) Show SMILES CC(C)(C)CNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:10| Show InChI InChI=1S/C29H31F3N4O5S/c1-28(2,3)16-34-26(38)36-25(20-12-11-17(15-33)13-23(20)42(4,40)41)24-21(9-6-10-22(24)37)35(27(36)39)19-8-5-7-18(14-19)29(30,31)32/h5,7-8,11-14,25,40-41H,6,9-10,16H2,1-4H3,(H,34,38)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405540 (USRE47493, Example 75.13) Show SMILES CC(C)(CO)NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:10| Show InChI InChI=1S/C28H29F3N4O6S/c1-27(2,15-36)33-25(38)35-24(19-11-10-16(14-32)12-22(19)42(3,40)41)23-20(8-5-9-21(23)37)34(26(35)39)18-7-4-6-17(13-18)28(29,30)31/h4,6-7,10-13,24,36,40-41H,5,8-9,15H2,1-3H3,(H,33,38)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405541 (USRE47493, Example 75.14) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCC[C@@H]2O)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C29H29F3N4O6S/c1-43(41,42)24-13-16(15-33)11-12-19(24)26-25-21(8-4-10-23(25)38)35(18-6-2-5-17(14-18)29(30,31)32)28(40)36(26)27(39)34-20-7-3-9-22(20)37/h2,5-6,11-14,20,22,26,37,41-42H,3-4,7-10H2,1H3,(H,34,39)/t20?,22-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405542 (USRE47493, Example 75.15) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCC[C@H]2O)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C29H29F3N4O6S/c1-43(41,42)24-13-16(15-33)11-12-19(24)26-25-21(8-4-10-23(25)38)35(18-6-2-5-17(14-18)29(30,31)32)28(40)36(26)27(39)34-20-7-3-9-22(20)37/h2,5-6,11-14,20,22,26,37,41-42H,3-4,7-10H2,1H3,(H,34,39)/t20?,22-,26-/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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405543 (USRE47493, Example 75.16) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCOCC2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C29H29F3N4O6S/c1-43(40,41)24-14-17(16-33)8-9-21(24)26-25-22(6-3-7-23(25)37)35(20-5-2-4-18(15-20)29(30,31)32)28(39)36(26)27(38)34-19-10-12-42-13-11-19/h2,4-5,8-9,14-15,19,26,40-41H,3,6-7,10-13H2,1H3,(H,34,38)/t26-/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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405544 (USRE47493, Example 75.17) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CC[C@H](O)C2)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:26| Show InChI InChI=1S/C29H29F3N4O6S/c1-43(41,42)24-12-16(15-33)8-11-21(24)26-25-22(6-3-7-23(25)38)35(19-5-2-4-17(13-19)29(30,31)32)28(40)36(26)27(39)34-18-9-10-20(37)14-18/h2,4-5,8,11-13,18,20,26,37,41-42H,3,6-7,9-10,14H2,1H3,(H,34,39)/t18?,20-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405545 (USRE47493, Example 75.18) Show SMILES C[C@H]1CCCC1NC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:12| Show InChI InChI=1S/C30H31F3N4O5S/c1-17-6-3-9-22(17)35-28(39)37-27(21-13-12-18(16-34)14-25(21)43(2,41)42)26-23(10-5-11-24(26)38)36(29(37)40)20-8-4-7-19(15-20)30(31,32)33/h4,7-8,12-15,17,22,27,41-42H,3,5-6,9-11H2,1-2H3,(H,35,39)/t17-,22?,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405546 (USRE47493, Example 75.19) Show SMILES CC(C)(C)CCNC(=O)N1[C@@H](C2=C(CCCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(O)O)C#N |r,t:11| Show InChI InChI=1S/C30H33F3N4O5S/c1-29(2,3)13-14-35-27(39)37-26(21-12-11-18(17-34)15-24(21)43(4,41)42)25-22(9-6-10-23(25)38)36(28(37)40)20-8-5-7-19(16-20)30(31,32)33/h5,7-8,11-12,15-16,26,41-42H,6,9-10,13-14H2,1-4H3,(H,35,39)/t26-/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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM405547 (USRE47493, Example 75.20) Show SMILES CS(O)(O)c1cc(ccc1[C@H]1N(C(=O)NC2CCCC[C@@H]2O)C(=O)N(C2=C1C(=O)CCC2)c1cccc(c1)C(F)(F)F)C#N |r,c:27| Show InChI InChI=1S/C30H31F3N4O6S/c1-44(42,43)25-14-17(16-34)12-13-20(25)27-26-22(9-5-11-24(26)39)36(19-7-4-6-18(15-19)30(31,32)33)29(41)37(27)28(40)35-21-8-2-3-10-23(21)38/h4,6-7,12-15,21,23,27,38,42-43H,2-3,5,8-11H2,1H3,(H,35,40)/t21?,23-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	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 Bache...				US Patent USRE47493 (2019) BindingDB Entry DOI: 10.7270/Q2668GJJ
					More data for this Ligand-Target Pair

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