Compile Data Set for Download or QSAR

Found 2798 hits of ic50 data for polymerid = 10319,5023   

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))	BDBM50583309 (CHEMBL4204851) Show SMILES [Na;v0+].[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]S([#8-])(=O)=O)-[#7]-[#6](=O)\[#6]=[#6]\c2csc(n2)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](=O)-[#6@@H](-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-c1ccc(-[#8])cc1 |r,t:21| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human neutrophil elastase				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01583 BindingDB Entry DOI: 10.7270/Q2R78K38
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096484 ((4S,6R)-6-Allyl-4-(naphthalene-2-sulfonyl)-5-oxo-h...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H26N2O5S/c1-2-8-23-25-24(15-16-28(25)27(31)34-18-19-9-4-3-5-10-19)29(26(23)30)35(32,33)22-14-13-20-11-6-7-12-21(20)17-22/h2-7,9-14,17,23-25H,1,8,15-16,18H2/t23-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0360	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066997 ((3aS,6R)-6-Allyl-4-methanesulfonyl-5-oxo-hexahydro...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2S(C)(=O)=O Show InChI InChI=1S/C18H22N2O5S/c1-3-7-14-16-15(20(17(14)21)26(2,23)24)10-11-19(16)18(22)25-12-13-8-5-4-6-9-13/h3-6,8-9,14-16H,1,7,10-12H2,2H3/t14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120437 (CHEMBL3617973) Show SMILES CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:5| Show InChI InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem 26: 5583-5595 (2018) Article DOI: 10.1016/j.bmc.2018.09.034 BindingDB Entry DOI: 10.7270/Q2M32ZGV
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120437 (CHEMBL3617973) Show SMILES CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:5| Show InChI InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate measured after 60 mins by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00960 BindingDB Entry DOI: 10.7270/Q29W0K46
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120437 (CHEMBL3617973) Show SMILES CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:5| Show InChI InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50058495 (3-{2-[2-(Thiophene-2-carbonylsulfanyl)-propionylam...) Show SMILES CC(SC(=O)c1cccs1)C(=O)NCC(=O)N1CSCC1C(O)=O Show InChI InChI=1S/C14H16N2O5S3/c1-8(24-14(21)10-3-2-4-23-10)12(18)15-5-11(17)16-7-22-6-9(16)13(19)20/h2-4,8-9H,5-7H2,1H3,(H,15,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Servier Curated by ChEMBL					Assay Description Inhibitory concentration against Human Leukocyte Elastase from human sputum				J Med Chem 40: 1906-18 (1997) Article DOI: 10.1021/jm960772z BindingDB Entry DOI: 10.7270/Q2MS3RW1
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120428 (CHEMBL3617966) Show SMILES CNC(=O)c1cc(-c2ccnn2-c2ccc(cc2)C#N)c(C)n(-c2cccc(c2)C(F)(F)F)c1=O Show InChI InChI=1S/C25H18F3N5O2/c1-15-20(22-10-11-31-33(22)18-8-6-16(14-29)7-9-18)13-21(23(34)30-2)24(35)32(15)19-5-3-4-17(12-19)25(26,27)28/h3-13H,1-2H3,(H,30,34)	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem Lett 25: 4370-81 (2015) Article DOI: 10.1016/j.bmcl.2015.08.049 BindingDB Entry DOI: 10.7270/Q29Z96PX
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50556037 (CHEMBL4744163) Show SMILES CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=N)=O)C#N |r,t:5| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate measured after 60 mins by fluorescence method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00960 BindingDB Entry DOI: 10.7270/Q29W0K46
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	CHEMBL5280380 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189818 (US9174997, 27) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N1c1cccc(c1)C(F)(F)F)S(C)(=O)=O)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C22H17F3N4O5S2/c1-13-19(27-2)20(17-9-8-14(12-26)10-18(17)35(3,31)32)29(36(4,33)34)21(30)28(13)16-7-5-6-15(11-16)22(23,24)25/h5-11,20H,1,3-4H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189819 (US9174997, 32) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N1c1cccc(c1)C(F)(F)F)S(=O)(=O)C1CC1)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C24H19F3N4O5S2/c1-14-21(29-2)22(19-10-7-15(13-28)11-20(19)37(3,33)34)31(38(35,36)18-8-9-18)23(32)30(14)17-6-4-5-16(12-17)24(25,26)27/h4-7,10-12,18,22H,8-9H2,1,3H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189820 (US9174997, 33) Show SMILES CN1[C@@H](C([N+]#[C-])=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:5| Show InChI InChI=1S/C22H17F3N4O3S/c1-13-19(27-2)20(17-9-8-14(12-26)10-18(17)33(4,31)32)28(3)21(30)29(13)16-7-5-6-15(11-16)22(23,24)25/h5-11,20H,1,3-4H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189821 (US9174997, 36) Show SMILES CN1CC2=C([C@H](N(C(=O)N2c2cccc(c2)C(F)(F)F)S(C)(=O)=O)c2ccc(cc2S(C)(=O)=O)C#N)C1=O |r,t:3| Show InChI InChI=1S/C23H19F3N4O6S2/c1-28-12-17-19(21(28)31)20(16-8-7-13(11-27)9-18(16)37(2,33)34)30(38(3,35)36)22(32)29(17)15-6-4-5-14(10-15)23(24,25)26/h4-10,20H,12H2,1-3H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189822 (US9174997, 41) Show SMILES CSc1cc(ccc1[C@H]1NC(=O)N(C(C)=C1[N+]#[C-])c1cccc(c1)C(F)(F)F)C#N |r,c:15| Show InChI InChI=1S/C21H15F3N4OS/c1-12-18(26-2)19(16-8-7-13(11-25)9-17(16)30-3)27-20(29)28(12)15-6-4-5-14(10-15)21(22,23)24/h4-10,19H,1,3H3,(H,27,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189823 (US9174997, 43 (Diastereomer 1)) Show SMILES CC1=C([N+]#[C-])[C@H](NC(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1[S@](C)=O)C#N |r,c:1| Show InChI InChI=1S/C21H15F3N4O2S/c1-12-18(26-2)19(16-8-7-13(11-25)9-17(16)31(3)30)27-20(29)28(12)15-6-4-5-14(10-15)21(22,23)24/h4-10,19H,1,3H3,(H,27,29)/t19-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189831 (US9174997, 51) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N2CC(O)C2)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C25H20F3N5O5S/c1-14-21(30-2)22(19-8-7-15(11-29)9-20(19)39(3,37)38)33(23(35)31-12-18(34)13-31)24(36)32(14)17-6-4-5-16(10-17)25(26,27)28/h4-10,18,22,34H,12-13H2,1,3H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189835 (US9174997, 55) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N2CCC[C@@H](N)C2)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C27H25F3N6O4S/c1-16-23(33-2)24(21-10-9-17(14-31)12-22(21)41(3,39)40)36(25(37)34-11-5-7-19(32)15-34)26(38)35(16)20-8-4-6-18(13-20)27(28,29)30/h4,6,8-10,12-13,19,24H,5,7,11,15,32H2,1,3H3/t19-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189860 (US9174997, 80) Show SMILES CC(O)CN(CC(C)O)C(=O)N1[C@@H](C([N+]#[C-])=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:15| Show InChI InChI=1S/C28H28F3N5O6S/c1-16(37)14-34(15-17(2)38)26(39)36-25(22-10-9-19(13-32)11-23(22)43(5,41)42)24(33-4)18(3)35(27(36)40)21-8-6-7-20(12-21)28(29,30)31/h6-12,16-17,25,37-38H,14-15H2,1-3,5H3/t16?,17?,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189865 (US9174997, 85) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)NC(C)(C)CO)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C26H24F3N5O5S/c1-15-21(31-4)22(19-10-9-16(13-30)11-20(19)40(5,38)39)34(23(36)32-25(2,3)14-35)24(37)33(15)18-8-6-7-17(12-18)26(27,28)29/h6-12,22,35H,14H2,1-3,5H3,(H,32,36)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189871 (US9174997, 91) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N1c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C27H18F4N4O5S2/c1-16-24(33-2)25(22-12-7-17(15-32)13-23(22)41(3,37)38)35(42(39,40)21-10-8-19(28)9-11-21)26(36)34(16)20-6-4-5-18(14-20)27(29,30)31/h4-14,25H,1,3H3/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189876 (US9174997, 96) Show SMILES Cc1c(cnn1C(F)F)S(=O)(=O)N1[C@@H](C([N+]#[C-])=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,t:17| Show InChI InChI=1S/C26H19F5N6O5S2/c1-14-21(13-34-36(14)24(27)28)44(41,42)37-23(19-9-8-16(12-32)10-20(19)43(4,39)40)22(33-3)15(2)35(25(37)38)18-7-5-6-17(11-18)26(29,30)31/h5-11,13,23-24H,1-2,4H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189883 (US9174997, 103) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N1c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccccc1C#N)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C28H18F3N5O5S2/c1-17-25(34-2)26(22-12-11-18(15-32)13-24(22)42(3,38)39)36(43(40,41)23-10-5-4-7-19(23)16-33)27(37)35(17)21-9-6-8-20(14-21)28(29,30)31/h4-14,26H,1,3H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189896 (US9174997, 116) Show SMILES CC1=C([N+]#[C-])[C@H](N(CC#N)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C23H16F3N5O3S/c1-14-20(29-2)21(18-8-7-15(13-28)11-19(18)35(3,33)34)30(10-9-27)22(32)31(14)17-6-4-5-16(12-17)23(24,25)26/h4-8,11-12,21H,10H2,1,3H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189900 (US9174997, 120) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)OCc2ccccc2)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C29H21F3N4O5S/c1-18-25(34-2)26(23-13-12-20(16-33)14-24(23)42(3,39)40)36(28(38)41-17-19-8-5-4-6-9-19)27(37)35(18)22-11-7-10-21(15-22)29(30,31)32/h4-15,26H,17H2,1,3H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189908 (US9174997, 128) Show SMILES CCS(=O)(=O)c1cc(ccc1[C@H]1N(C)C(=O)N(C(C)=C1[N+]#[C-])c1cccc(c1)C(F)(F)F)C#N |r,c:19| Show InChI InChI=1S/C23H19F3N4O3S/c1-5-34(32,33)19-11-15(13-27)9-10-18(19)21-20(28-3)14(2)30(22(31)29(21)4)17-8-6-7-16(12-17)23(24,25)26/h6-12,21H,5H2,1-2,4H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189921 (US9174997, 141) Show SMILES CC1=C([N+]#[C-])[C@H](NC(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(=O)(=O)c1ccccc1)C#N |r,c:1| Show InChI InChI=1S/C26H17F3N4O3S/c1-16-23(31-2)24(32-25(34)33(16)19-8-6-7-18(14-19)26(27,28)29)21-12-11-17(15-30)13-22(21)37(35,36)20-9-4-3-5-10-20/h3-14,24H,1H3,(H,32,34)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189924 (US9174997, 144) Show SMILES CC1=C([C@H](N(C(=O)N1c1cccc(c1)C(F)(F)F)S(C)(=O)=O)c1ccc(cc1S(C)(=O)=O)C#N)C(=O)OCCO |r,t:1| Show InChI InChI=1S/C24H22F3N3O8S2/c1-14-20(22(32)38-10-9-31)21(18-8-7-15(13-28)11-19(18)39(2,34)35)30(40(3,36)37)23(33)29(14)17-6-4-5-16(12-17)24(25,26)27/h4-8,11-12,21,31H,9-10H2,1-3H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM211514 (US9290457, Example 1.56) Show SMILES CN(Cc1cn[nH]c1)C(=O)c1cc(ccc1C1N(C)C(=O)N(C(C)=C1C(C)=O)c1cccc(c1)C(F)(F)F)C#N |c:25| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...				US Patent US9290457 (2016) BindingDB Entry DOI: 10.7270/Q2QJ7G4W
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120436 (CHEMBL3617972) Show SMILES CC1=C(C#N)[C@H](NC(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C21H15F3N4O3S/c1-12-17(11-26)19(16-7-6-13(10-25)8-18(16)32(2,30)31)27-20(29)28(12)15-5-3-4-14(9-15)21(22,23)24/h3-9,19H,1-2H3,(H,27,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 25: 4370-81 (2015) Article DOI: 10.1016/j.bmcl.2015.08.049 BindingDB Entry DOI: 10.7270/Q29Z96PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil elastase (Homo sapiens (Human))	BDBM189815 (US9174997, 18) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N2CC[C@H](O)C2)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C26H22F3N5O5S/c1-15-22(31-2)23(20-8-7-16(13-30)11-21(20)40(3,38)39)34(24(36)32-10-9-19(35)14-32)25(37)33(15)18-6-4-5-17(12-18)26(27,28)29/h4-8,11-12,19,23,35H,9-10,14H2,1,3H3/t19-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189814 (US9174997, 14) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)NCCOCCO)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C26H24F3N5O6S/c1-16-22(31-2)23(20-8-7-17(15-30)13-21(20)41(3,38)39)34(24(36)32-9-11-40-12-10-35)25(37)33(16)19-6-4-5-18(14-19)26(27,28)29/h4-8,13-14,23,35H,9-12H2,1,3H3,(H,32,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189813 (US9174997, 12) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)NN(CCO)CCO)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C26H25F3N6O6S/c1-16-22(31-2)23(20-8-7-17(15-30)13-21(20)42(3,40)41)35(24(38)32-33(9-11-36)10-12-37)25(39)34(16)19-6-4-5-18(14-19)26(27,28)29/h4-8,13-14,23,36-37H,9-12H2,1,3H3,(H,32,38)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189812 (US9174997, 10) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)NCCO)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C24H20F3N5O5S/c1-14-20(29-2)21(18-8-7-15(13-28)11-19(18)38(3,36)37)32(22(34)30-9-10-33)23(35)31(14)17-6-4-5-16(12-17)24(25,26)27/h4-8,11-12,21,33H,9-10H2,1,3H3,(H,30,34)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM104826 (US8569314, 56) Show SMILES CCNc1nc2N(C(C)=C([N+]#[C-])[C@@H](c3ccc(cc3)C#N)n2n1)c1cccc(c1)C(F)(F)F |r,t:8| Show InChI InChI=1S/C23H18F3N7/c1-4-29-21-30-22-32(18-7-5-6-17(12-18)23(24,25)26)14(2)19(28-3)20(33(22)31-21)16-10-8-15(13-27)9-11-16/h5-12,20H,4H2,1-2H3,(H,29,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...				US Patent US8569314 (2013) BindingDB Entry DOI: 10.7270/Q2FJ2FF4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM104825 (US8569314, 53) Show SMILES CC1=C([N+]#[C-])[C@@H](c2ccc(cc2)C#N)n2nc(NC(=O)NCCO)nc2N1c1cccc(c1)C(F)(F)F |r,c:1| Show InChI InChI=1S/C24H19F3N8O2/c1-14-19(29-2)20(16-8-6-15(13-28)7-9-16)35-23(32-21(33-35)31-22(37)30-10-11-36)34(14)18-5-3-4-17(12-18)24(25,26)27/h3-9,12,20,36H,10-11H2,1H3,(H2,30,31,33,37)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...				US Patent US8569314 (2013) BindingDB Entry DOI: 10.7270/Q2FJ2FF4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM104824 (US8569314, 50) Show SMILES CCOC(=O)Nc1nc2N(C(C)=C(C(c3ccc(cc3)C#N)n2n1)C(=O)OCC)c1cccc(c1)C(F)(F)F |c:11| Show InChI InChI=1S/C26H23F3N6O4/c1-4-38-22(36)20-15(3)34(19-8-6-7-18(13-19)26(27,28)29)24-31-23(32-25(37)39-5-2)33-35(24)21(20)17-11-9-16(14-30)10-12-17/h6-13,21H,4-5H2,1-3H3,(H,32,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...				US Patent US8569314 (2013) BindingDB Entry DOI: 10.7270/Q2FJ2FF4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM104823 (US8569314, 35) Show SMILES CC1=C([N+]#[C-])[C@@H](c2ccc(cc2S(C)(=O)=O)C#N)n2nc(NC(=O)C3CC3)nc2N1c1cccc(c1)C(F)(F)F |r,c:1| Show InChI InChI=1S/C26H20F3N7O3S/c1-14-21(31-2)22(19-10-7-15(13-30)11-20(19)40(3,38)39)36-25(33-24(34-36)32-23(37)16-8-9-16)35(14)18-6-4-5-17(12-18)26(27,28)29/h4-7,10-12,16,22H,8-9H2,1,3H3,(H,32,34,37)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...				US Patent US8569314 (2013) BindingDB Entry DOI: 10.7270/Q2FJ2FF4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM104822 (US8569314, 23) Show SMILES CC1=C([N+]#[C-])[C@@H](c2ccc(cc2)C#N)n2nc(NC(=O)C3CCCCC3)nc2N1c1cccc(c1)C(F)(F)F |r,c:1| Show InChI InChI=1S/C28H24F3N7O/c1-17-23(33-2)24(19-13-11-18(16-32)12-14-19)38-27(37(17)22-10-6-9-21(15-22)28(29,30)31)35-26(36-38)34-25(39)20-7-4-3-5-8-20/h6,9-15,20,24H,3-5,7-8H2,1H3,(H,34,36,39)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...				US Patent US8569314 (2013) BindingDB Entry DOI: 10.7270/Q2FJ2FF4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM104820 (US8569314, 5) Show SMILES CC1=C([N+]#[C-])C(c2ccc(cc2S(C)(=O)=O)C#N)n2nc(nc2N1c1cccc(c1)C(F)(F)F)N1C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C30H18F3N7O4S/c1-16-24(35-2)25(22-12-11-17(15-34)13-23(22)45(3,43)44)40-29(38(16)19-8-6-7-18(14-19)30(31,32)33)36-28(37-40)39-26(41)20-9-4-5-10-21(20)27(39)42/h4-14,25H,1,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...				US Patent US8569314 (2013) BindingDB Entry DOI: 10.7270/Q2FJ2FF4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM104821 (US8569314, 9) Show SMILES CC1=C([N+]#[C-])[C@@H](c2ccc(cc2S(C)(=O)=O)C#N)n2nc(N)nc2N1c1cccc(c1)C(F)(F)F |r,c:1| Show InChI InChI=1S/C22H16F3N7O2S/c1-12-18(28-2)19(16-8-7-13(11-26)9-17(16)35(3,33)34)32-21(29-20(27)30-32)31(12)15-6-4-5-14(10-15)22(23,24)25/h4-10,19H,1,3H3,(H2,27,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Intellectual Property GmbH US Patent					Assay Description In vitro HNE inhibition assay. The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amido...				US Patent US8569314 (2013) BindingDB Entry DOI: 10.7270/Q2FJ2FF4
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189817 (US9174997, 22) Show SMILES CC1=C([N+]#[C-])[C@H](N(CC(N)=O)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C23H18F3N5O4S/c1-13-20(29-2)21(17-8-7-14(11-27)9-18(17)36(3,34)35)30(12-19(28)32)22(33)31(13)16-6-4-5-15(10-16)23(24,25)26/h4-10,21H,12H2,1,3H3,(H2,28,32)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50066999 ((S)-3,3-Diethyl-2-[4-(4-methyl-piperazine-1-carbon...) Show SMILES CCC[C@@H](NC(=O)N1[C@@H](Oc2ccc(cc2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C31H40N4O6/c1-5-8-24(22-11-14-25-26(19-22)40-20-39-25)32-30(38)35-28(37)31(6-2,7-3)29(35)41-23-12-9-21(10-13-23)27(36)34-17-15-33(4)16-18-34/h9-14,19,24,29H,5-8,15-18,20H2,1-4H3,(H,32,38)/t24-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity in human whole blood (HWB) elastase at a concentration of 10				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189811 (US9174997, 6) Show SMILES CC1=C([N+]#[C-])[C@H](NC(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C21H15F3N4O3S/c1-12-18(26-2)19(16-8-7-13(11-25)9-17(16)32(3,30)31)27-20(29)28(12)15-6-4-5-14(10-15)21(22,23)24/h4-10,19H,1,3H3,(H,27,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120429 (CHEMBL3617965) Show SMILES Cc1c(cc(C(=O)NCCCN2CCCC2=O)c(=O)n1-c1cccc(c1)C(F)(F)F)[S+]([O-])c1ccc(cc1)C#N Show InChI InChI=1S/C28H25F3N4O4S/c1-18-24(40(39)22-10-8-19(17-32)9-11-22)16-23(26(37)33-12-4-14-34-13-3-7-25(34)36)27(38)35(18)21-6-2-5-20(15-21)28(29,30)31/h2,5-6,8-11,15-16H,3-4,7,12-14H2,1H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem Lett 25: 4370-81 (2015) Article DOI: 10.1016/j.bmcl.2015.08.049 BindingDB Entry DOI: 10.7270/Q29Z96PX
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50096486 (CHEMBL2367646 | benzyl (3aS,6aR)-4-acetyl-6-allyl-...) Show SMILES [H][C@]12CCN(C(=O)OCc3ccccc3)[C@]1([H])[C@@H](CC=C)C(=O)N2C(C)=O Show InChI InChI=1S/C19H22N2O4/c1-3-7-15-17-16(21(13(2)22)18(15)23)10-11-20(17)19(24)25-12-14-8-5-4-6-9-14/h3-6,8-9,15-17H,1,7,10-12H2,2H3/t15-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description In vitro inhibitory activity against human neutrophil elastase (HNE)				Bioorg Med Chem Lett 11: 243-6 (2001) BindingDB Entry DOI: 10.7270/Q2K074SH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	CHEMBL5284383 Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL UniChem		n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50429202 (LYNGBYASTATIN 7) Show SMILES CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC1=O)=C\C)C2=O)C(C)C |r| Show InChI InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50120424 (CHEMBL3617970) Show SMILES CC1=C([C@H](N(CC(O)=O)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N)C(=O)OCCOCC(O)=O |r,t:1| Show InChI InChI=1S/C26H22F3N3O8/c1-15-22(24(37)40-10-9-39-14-21(35)36)23(17-7-5-16(12-30)6-8-17)31(13-20(33)34)25(38)32(15)19-4-2-3-18(11-19)26(27,28)29/h2-8,11,23H,9-10,13-14H2,1H3,(H,33,34)(H,35,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem Lett 25: 4370-81 (2015) Article DOI: 10.1016/j.bmcl.2015.08.049 BindingDB Entry DOI: 10.7270/Q29Z96PX
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189849 (US9174997, 69) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N2CCN(CC2)c2ccccn2)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C31H26F3N7O4S/c1-20-27(36-2)28(24-11-10-21(19-35)17-25(24)46(3,44)45)41(30(43)40(20)23-8-6-7-22(18-23)31(32,33)34)29(42)39-15-13-38(14-16-39)26-9-4-5-12-37-26/h4-12,17-18,28H,13-16H2,1,3H3/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2798 total )  |  Next  |  Last  >>

Jump to: