Compile Data Set for Download or QSAR
Found 4214 Enz. Inhib. hit(s) with Target = 'Neutrophil elastase'
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50036480(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S/c1-15(2)16-4-3-5-19-20(16)23(29)28(36(19,31)32)14-35-24(30)21-17(25)6-7-18(22(21)26)34-13-10-27-8-11-33-12-9-27/h3-7,15H,8-14H2,1-2H3
Affinity DataKi:  0.00800nMAssay Description:Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039635(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCN(C)CC1)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O7S2/c1-14(2)15-5-4-6-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)7-8-18(22(21)26)37(33,34)28-11-9-27(3)10-12-28/h4-8,14,19H,9-13H2,1-3H3
Affinity DataKi:  0.0100nMAssay Description:In vitro inhibition constant of human leukocyte elastase.More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039637(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(c1Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O
Show InChI InChI=1S/C24H28Cl2N2O7S2/c1-14(2)15-7-6-8-17-20(15)23(29)19(36(17,31)32)13-35-24(30)21-16(25)9-10-18(22(21)26)37(33,34)28(5)12-11-27(3)4/h6-10,14,19H,11-13H2,1-5H3
Affinity DataKi:  0.0100nMAssay Description:In vitro inhibition constant of human leukocyte elastase.More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039646(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CC(C)c1cccc2c1C(=O)C(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C25H27Cl2NO7S/c1-15(2)16-4-3-5-19-21(16)24(29)20(36(19,31)32)14-35-25(30)22-17(26)6-7-18(23(22)27)34-13-10-28-8-11-33-12-9-28/h3-7,15,20H,8-14H2,1-2H3
Affinity DataKi:  0.0100nMAssay Description:In vitro inhibition constant of human leukocyte elastase.More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50036478(3-Carboxymethoxy-2,6-dichloro-benzoic acid 4-isopr...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCC(O)=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C21H19Cl2NO9S/c1-10(2)12-6-11(31-3)7-15-17(12)20(27)24(34(15,29)30)9-33-21(28)18-13(22)4-5-14(19(18)23)32-8-16(25)26/h4-7,10H,8-9H2,1-3H3,(H,25,26)
Affinity DataKi:  0.0110nMAssay Description:Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50036476(2,6-Dichloro-3-(4-methyl-piperazine-1-sulfonyl)-be...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCN(C)CC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H27Cl2N3O8S2/c1-14(2)16-11-15(36-4)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)5-6-18(22(21)26)38(32,33)28-9-7-27(3)8-10-28/h5-6,11-12,14H,7-10,13H2,1-4H3
Affinity DataKi:  0.0110nMAssay Description:Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50036477(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3
Affinity DataKi:  0.0130nMAssay Description:Binding affinity against Elastase.Checked by AuthorMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50036481(2,6-Dichloro-3-[(2-dimethylamino-ethyl)-methyl-sul...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(c3Cl)S(=O)(=O)N(C)CCN(C)C)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H29Cl2N3O8S2/c1-14(2)16-11-15(36-6)12-19-20(16)23(30)29(39(19,34)35)13-37-24(31)21-17(25)7-8-18(22(21)26)38(32,33)28(5)10-9-27(3)4/h7-8,11-12,14H,9-10,13H2,1-6H3
Affinity DataKi:  0.0130nMAssay Description:Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50036477(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O8S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(38(20,32)33)14-37-25(31)22-18(26)4-5-19(23(22)27)36-11-8-28-6-9-35-10-7-28/h4-5,12-13,15H,6-11,14H2,1-3H3
Affinity DataKi:  0.0130nMAssay Description:Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029704(2-(4-Benzyl-5-oxo-2,5-dihydro-furan-3-yloxymethyl)...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)OC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C23H23NO7S/c1-14(2)17-10-16(29-3)11-20-21(17)22(25)24(32(20,27)28)13-31-19-12-30-23(26)18(19)9-15-7-5-4-6-8-15/h4-8,10-11,14H,9,12-13H2,1-3H3
Affinity DataKi:  0.0130nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50036475(2,6-Dichloro-3-(2-pyrrolidin-1-yl-ethoxy)-benzoic ...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCCC4)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H28Cl2N2O7S/c1-15(2)17-12-16(34-3)13-20-21(17)24(30)29(37(20,32)33)14-36-25(31)22-18(26)6-7-19(23(22)27)35-11-10-28-8-4-5-9-28/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3
Affinity DataKi:  0.0140nMAssay Description:Potency of inhibition against human leukocyte elastase (HLE) expressed as an apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50118030(4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...)
Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O
Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1
Affinity DataKi:  0.0140nMAssay Description:The compound was evaluated for its binding affinity towards human neutrophil elastase (HNE)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029709(2-(4-Benzyl-2-methyl-5-oxo-2,5-dihydro-furan-3-ylo...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)OC3C)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H25NO7S/c1-14(2)18-11-17(30-4)12-20-21(18)23(26)25(33(20,28)29)13-31-22-15(3)32-24(27)19(22)10-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3
Affinity DataKi:  0.0160nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029710(4-Isopropyl-6-methoxy-2-(2-methyl-5-oxo-4-phenyl-2...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(C(=O)OC3C)c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C23H23NO7S/c1-13(2)17-10-16(29-4)11-18-20(17)22(25)24(32(18,27)28)12-30-21-14(3)31-23(26)19(21)15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3
Affinity DataKi:  0.0210nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50285289(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O
Show InChI InChI=1S/C24H26Cl2N2O9S/c1-3-35-18-12-15(33-2)13-19-21(18)23(29)28(38(19,31)32)14-37-24(30)20-16(25)4-5-17(22(20)26)36-11-8-27-6-9-34-10-7-27/h4-5,12-13H,3,6-11,14H2,1-2H3
Affinity DataKi:  0.0220nMAssay Description:Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029699(2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
Affinity DataKi:  0.0230nMAssay Description:Evaluated for inhibitory activity against Human leukocyte elastase (HLE)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029699(2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3
Affinity DataKi:  0.0230nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50095523(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
Affinity DataKi:  0.0250nMAssay Description:Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNaMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50095523(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
Affinity DataKi:  0.0250nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50095523(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
Affinity DataKi:  0.0250nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029698(4-Isopropyl-6-methoxy-1,1-dioxo-2-(5-oxo-4-phenyl-...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(C(=O)OC3)c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C22H21NO7S/c1-13(2)16-9-15(28-3)10-18-20(16)21(24)23(31(18,26)27)12-30-17-11-29-22(25)19(17)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3
Affinity DataKi:  0.0250nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029717(2-(3-Chloro-6-methyl-2-oxo-2H-pyran-4-yloxymethyl)...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C18H18ClNO7S/c1-9(2)12-6-11(25-4)7-14-15(12)17(21)20(28(14,23)24)8-26-13-5-10(3)27-18(22)16(13)19/h5-7,9H,8H2,1-4H3
Affinity DataKi:  0.0250nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50095523(CHEMBL285231 | [(S)-2-methyl-1-((S)-2-{(S)-2-methy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nnc(Cc2cccc(C)c2)o1
Show InChI InChI=1S/C33H41N5O6/c1-20(2)27(29(39)31-37-36-26(44-31)18-24-14-9-11-22(5)17-24)34-30(40)25-15-10-16-38(25)32(41)28(21(3)4)35-33(42)43-19-23-12-7-6-8-13-23/h6-9,11-14,17,20-21,25,27-28H,10,15-16,18-19H2,1-5H3,(H,34,40)(H,35,42)/t25-,27-,28-/m0/s1
Affinity DataKi:  0.0250nMAssay Description:Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrateMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029696(2-(3-Benzoyl-6-methyl-2-oxo-2H-pyran-4-yloxymethyl...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3C(=O)c3ccccc3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C25H23NO8S/c1-14(2)18-11-17(32-4)12-20-21(18)24(28)26(35(20,30)31)13-33-19-10-15(3)34-25(29)22(19)23(27)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3
Affinity DataKi:  0.0270nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50286326(2,6-Dichloro-benzoic acid 6-fluoro-4-isopropyl-1,1...)
Show SMILES CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H14Cl2FNO5S/c1-9(2)11-6-10(21)7-14-15(11)17(23)22(28(14,25)26)8-27-18(24)16-12(19)4-3-5-13(16)20/h3-7,9H,8H2,1-2H3
Affinity DataKi:  0.0300nMAssay Description:Evaluated for inhibitory activity against Human leukocyte elastase (HLE)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039631(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
Affinity DataKi:  0.0300nMAssay Description:Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029712(2-(4-Chloro-5-oxo-2,5-dihydro-furan-3-yloxymethyl)...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cl)C(=O)OC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H16ClNO7S/c1-8(2)10-4-9(23-3)5-12-13(10)15(19)18(26(12,21)22)7-25-11-6-24-16(20)14(11)17/h4-5,8H,6-7H2,1-3H3
Affinity DataKi:  0.0300nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039631(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
Affinity DataKi:  0.0300nMAssay Description:In vitro inhibition constant of human leukocyte elastase.More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039631(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
Affinity DataKi:  0.0300nMAssay Description:Evaluated for inhibitory activity against Human leukocyte elastase (HLE)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039631(2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...)
Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3
Affinity DataKi:  0.0302nMAssay Description:Observed binding affinity against Human leukocyte elastase (HLE)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029713(4-Isopropyl-6-methoxy-1,1-dioxo-2-(3-oxo-cyclobut-...)
Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)C3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H17NO6S/c1-9(2)13-6-11(22-3)7-14-15(13)16(19)17(24(14,20)21)8-23-12-4-10(18)5-12/h4,6-7,9H,5,8H2,1-3H3
Affinity DataKi:  0.0330nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029691(2-(2-Benzyl-3-oxo-cyclopent-1-enyloxymethyl)-4-iso...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)CC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C24H25NO6S/c1-15(2)18-12-17(30-3)13-22-23(18)24(27)25(32(22,28)29)14-31-21-10-9-20(26)19(21)11-16-7-5-4-6-8-16/h4-8,12-13,15H,9-11,14H2,1-3H3
Affinity DataKi:  0.0340nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50034671(CHEMBL41327 | Phosphoric acid diethyl ester 4-isop...)
Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cc(OC)cc2C(C)C)S1(=O)=O
Show InChI InChI=1S/C16H24NO8PS/c1-6-23-26(19,24-7-2)25-10-17-16(18)15-13(11(3)4)8-12(22-5)9-14(15)27(17,20)21/h8-9,11H,6-7,10H2,1-5H3
Affinity DataKi:  0.0350nMAssay Description:In vitro inhibitory activity against Human leukocyte elastaseMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50285280(2,6-Dichloro-benzoic acid 4-ethoxy-6-methoxy-1,1,3...)
Show SMILES CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C18H15Cl2NO7S/c1-3-27-13-7-10(26-2)8-14-16(13)17(22)21(29(14,24)25)9-28-18(23)15-11(19)5-4-6-12(15)20/h4-8H,3,9H2,1-2H3
Affinity DataKi:  0.0490nMAssay Description:Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029692(4-Isopropyl-6-methoxy-2-(6-methyl-2-oxo-2H-pyran-4...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C18H19NO7S/c1-10(2)14-6-12(24-4)7-15-17(14)18(21)19(27(15,22)23)9-25-13-5-11(3)26-16(20)8-13/h5-8,10H,9H2,1-4H3
Affinity DataKi:  0.0500nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029695(4-Isopropyl-6-methoxy-1,1-dioxo-2-(5-oxo-2,5-dihyd...)
Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)OC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H17NO7S/c1-9(2)12-4-10(22-3)5-13-15(12)16(19)17(25(13,20)21)8-24-11-6-14(18)23-7-11/h4-6,9H,7-8H2,1-3H3
Affinity DataKi:  0.0520nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029711(3-Bromo-2-(4-isopropyl-6-methoxy-1,1,3-trioxo-1,3-...)
Show SMILES COc1cc2c(C(=O)N(COc3nc4ccccn4c(=O)c3Br)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C20H18BrN3O6S/c1-11(2)13-8-12(29-3)9-14-16(13)19(25)24(31(14,27)28)10-30-18-17(21)20(26)23-7-5-4-6-15(23)22-18/h4-9,11H,10H2,1-3H3
Affinity DataKi:  0.0580nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50061031((S)-1-[(S)-2-(4-Benzenesulfonylaminocarbonyl-benzo...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C39H45F2N5O8S/c1-24(2)31(33(47)39(40,41)38(52)42-22-21-26-12-7-5-8-13-26)43-36(50)30-16-11-23-46(30)37(51)32(25(3)4)44-34(48)27-17-19-28(20-18-27)35(49)45-55(53,54)29-14-9-6-10-15-29/h5-10,12-15,17-20,24-25,30-32H,11,16,21-23H2,1-4H3,(H,42,52)(H,43,50)(H,44,48)(H,45,49)/t30-,31-,32-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Binding affinity for human leukocyte elastaseMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029720(4-Isopropyl-6-methoxy-2-(2-methyl-3-oxo-cyclopent-...)
Show SMILES COc1cc2c(C(=O)N(COC3=C(C)C(=O)CC3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C18H21NO6S/c1-10(2)13-7-12(24-4)8-16-17(13)18(21)19(26(16,22)23)9-25-15-6-5-14(20)11(15)3/h7-8,10H,5-6,9H2,1-4H3
Affinity DataKi:  0.0600nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039641(2,6-Dichloro-benzoic acid 4-sec-butyl-1,1,3-trioxo...)
Show SMILES CCC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C19H17Cl2NO5S/c1-3-11(2)12-6-4-9-15-16(12)18(23)22(28(15,25)26)10-27-19(24)17-13(20)7-5-8-14(17)21/h4-9,11H,3,10H2,1-2H3
Affinity DataKi:  0.0600nMAssay Description:In vitro inhibition constant of human leukocyte elastase.More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50031196(2-[3-Methyl-2-({1-[3-methyl-2-(4-chlorophenyl-sulf...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C38H41ClN6O10S/c1-20(2)30(32(46)35-41-27-19-23(37(50)54-5)10-17-29(27)55-35)42-34(48)28-7-6-18-45(28)36(49)31(21(3)4)43-33(47)22-8-13-25(14-9-22)40-38(51)44-56(52,53)26-15-11-24(39)12-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,42,48)(H,43,47)(H2,40,44,51)/t28-,30-,31-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNaMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50374350(CHEMBL403098)
Show SMILES COC(=O)c1ccc2nc(oc2c1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(C)C
Show InChI InChI=1S/C38H41ClN6O10S/c1-20(2)30(32(46)35-41-27-17-10-23(37(50)54-5)19-29(27)55-35)42-34(48)28-7-6-18-45(28)36(49)31(21(3)4)43-33(47)22-8-13-25(14-9-22)40-38(51)44-56(52,53)26-15-11-24(39)12-16-26/h8-17,19-21,28,30-31H,6-7,18H2,1-5H3,(H,42,48)(H,43,47)(H2,40,44,51)/t28-,30-,31-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029707(3-Chloro-2-(4-isopropyl-6-methoxy-1,1,3-trioxo-1,3...)
Show SMILES COc1cc2c(C(=O)N(COc3nc4ccccn4c(=O)c3Cl)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C20H18ClN3O6S/c1-11(2)13-8-12(29-3)9-14-16(13)19(25)24(31(14,27)28)10-30-18-17(21)20(26)23-7-5-4-6-15(23)22-18/h4-9,11H,10H2,1-3H3
Affinity DataKi:  0.0660nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50034676(CHEMBL41881 | Phosphoric acid 4-sec-butyl-1,1,3-tr...)
Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)CC)S1(=O)=O
Show InChI InChI=1S/C16H24NO7PS/c1-5-12(4)13-9-8-10-14-15(13)16(18)17(26(14,20)21)11-24-25(19,22-6-2)23-7-3/h8-10,12H,5-7,11H2,1-4H3
Affinity DataKi:  0.0700nMAssay Description:In vitro inhibitory activity against Human leukocyte elastaseMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50285286(2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...)
Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(OCC)c1
Show InChI InChI=1S/C25H28Cl2N2O9S/c1-3-35-16-13-19(36-4-2)22-20(14-16)39(32,33)29(24(22)30)15-38-25(31)21-17(26)5-6-18(23(21)27)37-12-9-28-7-10-34-11-8-28/h5-6,13-14H,3-4,7-12,15H2,1-2H3
Affinity DataKi:  0.0700nMAssay Description:Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50039642(2,6-Dichloro-benzoic acid 4-ethyl-1,1,3-trioxo-1,3...)
Show SMILES CCc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O
Show InChI InChI=1S/C17H13Cl2NO5S/c1-2-10-5-3-8-13-14(10)16(21)20(26(13,23)24)9-25-17(22)15-11(18)6-4-7-12(15)19/h3-8H,2,9H2,1H3
Affinity DataKi:  0.0708nMAssay Description:Observed binding affinity against Human leukocyte elastase (HLE)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50029721(2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-...)
Show SMILES COc1cc2c(C(=O)N(COc3cc(=O)n4ccccc4n3)S2(=O)=O)c(c1)C(C)C
Show InChI InChI=1S/C20H19N3O6S/c1-12(2)14-8-13(28-3)9-15-19(14)20(25)23(30(15,26)27)11-29-17-10-18(24)22-7-5-4-6-16(22)21-17/h4-10,12H,11H2,1-3H3
Affinity DataKi:  0.0780nMAssay Description:Potency of inhibition of human leukocyte elastase is expressed as apparent binding constantMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50285283(2,6-Dichloro-benzoic acid 4,6-dimethoxy-1,1,3-trio...)
Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(OC)c1
Show InChI InChI=1S/C17H13Cl2NO7S/c1-25-9-6-12(26-2)15-13(7-9)28(23,24)20(16(15)21)8-27-17(22)14-10(18)4-3-5-11(14)19/h3-7H,8H2,1-2H3
Affinity DataKi:  0.0800nMAssay Description:Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)More data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50120437(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
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
Affinity DataKi:  0.0800nMAssay Description:Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Sterling Winthrop Inc.

Curated by ChEMBL
LigandPNGBDBM50285284(2,6-Dichloro-benzoic acid 4,6-diethoxy-1,1,3-triox...)
Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(OCC)c1
Show InChI InChI=1S/C19H17Cl2NO7S/c1-3-27-11-8-14(28-4-2)17-15(9-11)30(25,26)22(18(17)23)10-29-19(24)16-12(20)6-5-7-13(16)21/h5-9H,3-4,10H2,1-2H3
Affinity DataKi:  0.0800nMAssay Description:Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)More data for this Ligand-Target Pair
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