Compile Data Set for Download or QSAR
Found 45 Enz. Inhib. hit(s) with all data for entry = 50005546
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50280675((6R,7S)-2-Benzoyl-7-methoxy-3-methyl-5,5-dioxo-5la...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(C)CS2(=O)=O
Show InChI InChI=1S/C15H15NO5S/c1-9-8-22(19,20)15-13(21-2)14(18)16(15)11(9)12(17)10-6-4-3-5-7-10/h3-7,13,15H,8H2,1-2H3/t13-,15+/m0/s1
Affinity DataKoff:  130s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291950(Acetic acid (4S,7S)-2-(2,2-dimethyl-propionyl)-7-m...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(C)=O)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H23N5O7S2/c1-8(23)29-7-9-10(12(24)17(2,3)4)22-13(25)11(28-6)14(22)31(26,27)15(9)30-16-18-19-20-21(16)5/h11,14-15H,7H2,1-6H3/t11-,14?,15-/m0/s1
Affinity DataKoff:  2s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291914((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methyl-5...)
Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C12H16ClNO4S/c1-6-5-19(17,18)11-7(13)10(16)14(11)8(6)9(15)12(2,3)4/h7,11H,5H2,1-4H3/t7-,11?/m0/s1
Affinity DataKoff:  2.10s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291915(CHEMBL337918 | Formic acid (4S,7S)-2-(2,2-dimethyl...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC=O)S2(=O)=O
Show InChI InChI=1S/C14H19NO7S/c1-7-8(10(17)14(2,3)4)15-11(18)9(21-5)12(15)23(19,20)13(7)22-6-16/h6,9,12-13H,1-5H3/t9-,12?,13-/m0/s1
Affinity DataKoff:  1.40E+3s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291916((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-(1-methy...)
Show SMILES Cn1nnnc1SCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClN5O4S2/c1-14(2,3)10(21)9-7(5-25-13-16-17-18-19(13)4)6-26(23,24)12-8(15)11(22)20(9)12/h8,12H,5-6H2,1-4H3/t8-,12?/m0/s1
Affinity DataKoff:  1.20s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50280676((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-(1-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)CS2(=O)=O
Show InChI InChI=1S/C15H21N5O5S2/c1-15(2,3)11(21)9-8(6-26-14-16-17-18-19(14)4)7-27(23,24)13-10(25-5)12(22)20(9)13/h10,13H,6-7H2,1-5H3/t10-,13+/m0/s1
Affinity DataKoff:  1.90s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291917((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1ccccn1)S2(=O)=O
Show InChI InChI=1S/C18H22N2O5S2/c1-10-12(14(21)18(2,3)4)20-15(22)13(25-5)16(20)27(23,24)17(10)26-11-8-6-7-9-19-11/h6-9,13,16-17H,1-5H3/t13-,16?,17-/m0/s1
Affinity DataKoff:  8.20E+4s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291918(2alpha-(benzoyloxy)3-[(benzoyloxy)methyl]-4-(tert-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C27H27NO9S/c1-27(2,3)21(29)19-18(15-36-24(31)16-11-7-5-8-12-16)26(37-25(32)17-13-9-6-10-14-17)38(33,34)23-20(35-4)22(30)28(19)23/h5-14,20,23,26H,15H2,1-4H3/t20-,23?,26-/m0/s1
Affinity DataKoff:  1.60s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291919((4S,7S)-2-Benzoyl-7-methoxy-3-methyl-4-(1-methyl-1...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)c1ccccc1)=C(C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H17N5O5S2/c1-9-11(12(23)10-7-5-4-6-8-10)22-14(24)13(27-3)15(22)29(25,26)16(9)28-17-18-19-20-21(17)2/h4-8,13,15-16H,1-3H3/t13-,15?,16-/m0/s1
Affinity DataKoff:  2.30s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291920(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-(3-oxo-but...)
Show SMILES CC(=O)CCC1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C13H16ClNO6S/c1-7(16)3-4-10-9(5-21-8(2)17)6-22(19,20)13-11(14)12(18)15(10)13/h11,13H,3-6H2,1-2H3/t11-,13?/m0/s1
Affinity DataKoff:  2.10s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291921((S)-3-Acetoxymethyl-7-chloro-5,5,8-trioxo-5lambda*...)
Show SMILES COC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C11H12ClNO7S/c1-5(14)20-3-6-4-21(17,18)10-7(12)9(15)13(10)8(6)11(16)19-2/h7,10H,3-4H2,1-2H3/t7-,10?/m0/s1
Affinity DataKoff:  1.30s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291922((S)-7-Methoxy-5,5,8-trioxo-3-(pyridin-2-ylsulfanyl...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CSc1ccccn1)CS2(=O)=O
Show InChI InChI=1S/C18H22N2O6S2/c1-18(2,3)26-17(22)13-11(9-27-12-7-5-6-8-19-12)10-28(23,24)16-14(25-4)15(21)20(13)16/h5-8,14,16H,9-10H2,1-4H3/t14-,16?/m0/s1
Affinity DataKoff:  900s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291923((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(1-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C17H23N9O5S3/c1-17(2,3)11(27)9-8(7-32-15-18-20-22-24(15)4)14(33-16-19-21-23-25(16)5)34(29,30)13-10(31-6)12(28)26(9)13/h10,13-14H,7H2,1-6H3/t10-,13?,14-/m0/s1
Affinity DataKoff:  2.60s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291924((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C15H21N5O5S2/c1-7-8(10(21)15(2,3)4)20-11(22)9(25-6)12(20)27(23,24)13(7)26-14-16-17-18-19(14)5/h9,12-13H,1-6H3/t9-,12?,13-/m0/s1
Affinity DataKoff:  1s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50003159(3-(6-Hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]tri...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCCC1)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O
Show InChI InChI=1S/C17H21N5O7S2/c1-20-17(18-12(23)13(24)19-20)30-7-9-8-31(27,28)16-11(29-2)15(26)22(16)10(9)14(25)21-5-3-4-6-21/h11,16H,3-8H2,1-2H3,(H,19,24)/t11-,16+/m0/s1
Affinity DataKoff:  9.20s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291925((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1nnc(C)s1)S2(=O)=O
Show InChI InChI=1S/C16H21N3O5S3/c1-7-9(11(20)16(3,4)5)19-12(21)10(24-6)13(19)27(22,23)14(7)26-15-18-17-8(2)25-15/h10,13-14H,1-6H3/t10-,13?,14-/m0/s1
Affinity DataKoff:  4.70E+4s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291926(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-propionyl-...)
Show SMILES CCC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12
Show InChI InChI=1S/C12H14ClNO6S/c1-3-8(16)10-7(4-20-6(2)15)5-21(18,19)12-9(13)11(17)14(10)12/h9,12H,3-5H2,1-2H3/t9-,12?/m0/s1
Affinity DataKoff:  7.30s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291927((S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-methoxym...)
Show SMILES COCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C13H18ClNO5S/c1-13(2,3)10(16)9-7(5-20-4)6-21(18,19)12-8(14)11(17)15(9)12/h8,12H,5-6H2,1-4H3/t8-,12?/m0/s1
Affinity DataKoff:  1.5s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291928((4S,7S)-2-Benzoyl-7-chloro-3-methyl-4-(1-methyl-1H...)
Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14ClN5O4S2/c1-8-11(12(23)9-6-4-3-5-7-9)22-13(24)10(17)14(22)28(25,26)15(8)27-16-18-19-20-21(16)2/h3-7,10,14-15H,1-2H3/t10-,14?,15-/m0/s1
Affinity DataKoff:  1.30s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291929((4S,7S)-2-Benzoyl-7-methoxy-4-(5-methyl-2,5-dihydr...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)c1ccccc1)=C(CSC1=NNC(C)S1)[C@@H](SC1=NNC(C)S1)S2(=O)=O
Show InChI InChI=1S/C21H23N5O5S5/c1-10-22-24-20(33-10)32-9-13-14(15(27)12-7-5-4-6-8-12)26-17(28)16(31-3)18(26)36(29,30)19(13)35-21-25-23-11(2)34-21/h4-8,10-11,16,18-19,22-23H,9H2,1-3H3/t10?,11?,16-,18?,19-/m0/s1
Affinity DataKoff:  3.90s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291930(Acetic acid (S)-2-(2,2-dimethyl-propionyl)-7-metho...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C15H21NO7S/c1-8(17)23-6-9-7-24(20,21)14-11(22-5)13(19)16(14)10(9)12(18)15(2,3)4/h11,14H,6-7H2,1-5H3/t11-,14?/m0/s1
Affinity DataKoff:  2.40E+4s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50280672((6R,7S)-2-Benzoyl-7-methoxy-3-(1-methyl-1H-tetrazo...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)c1ccccc1)=C(CSc1nnnn1C)CS2(=O)=O
Show InChI InChI=1S/C17H17N5O5S2/c1-21-17(18-19-20-21)28-8-11-9-29(25,26)16-14(27-2)15(24)22(16)12(11)13(23)10-6-4-3-5-7-10/h3-7,14,16H,8-9H2,1-2H3/t14-,16+/m0/s1
Affinity DataKoff:  1.80s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291931((4S,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-4-(5-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSC1=NNC(C)S1)[C@@H](SC1=NNC(C)S1)S2(=O)=O
Show InChI InChI=1S/C19H27N5O5S5/c1-8-20-22-17(31-8)30-7-10-11(13(25)19(3,4)5)24-14(26)12(29-6)15(24)34(27,28)16(10)33-18-23-21-9(2)32-18/h8-9,12,15-16,20-21H,7H2,1-6H3/t8?,9?,12-,15?,16-/m0/s1
Affinity DataKoff:  2.10s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291932((4S,7S)-4-Benzenesulfonyl-2-(2,2-dimethyl-propiony...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](S(=O)(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C19H23NO7S2/c1-11-13(15(21)19(2,3)4)20-16(22)14(27-5)17(20)29(25,26)18(11)28(23,24)12-9-7-6-8-10-12/h6-10,14,17-18H,1-5H3/t14-,17?,18-/m0/s1
Affinity DataKoff:  2.80E+5s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291933(Acetic acid (4S,7S)-2-(2,2-dimethyl-propionyl)-7-m...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(C)=O)S2(=O)=O
Show InChI InChI=1S/C15H21NO7S/c1-7-9(11(18)15(3,4)5)16-12(19)10(22-6)13(16)24(20,21)14(7)23-8(2)17/h10,13-14H,1-6H3/t10-,13?,14-/m0/s1
Affinity DataKoff:  6.50E+4s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291934(4-Oxo-4-phenyl-butyric acid (4S,7S)-2-(2,2-dimethy...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(=O)CCC(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C23H27NO8S/c1-13-17(19(27)23(2,3)4)24-20(28)18(31-5)21(24)33(29,30)22(13)32-16(26)12-11-15(25)14-9-7-6-8-10-14/h6-10,18,21-22H,11-12H2,1-5H3/t18-,21?,22-/m0/s1
Affinity DataKoff:  3.00E+5s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291935(4-(6-Hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]tri...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(=O)c1ccc(CSc3nc(=O)c(=O)[nH]n3C)cc1)S2(=O)=O
Show InChI InChI=1S/C25H28N4O9S2/c1-12-15(17(30)25(2,3)4)29-20(33)16(37-6)21(29)40(35,36)23(12)38-22(34)14-9-7-13(8-10-14)11-39-24-26-18(31)19(32)27-28(24)5/h7-10,16,21,23H,11H2,1-6H3,(H,27,32)/t16-,21?,23-/m0/s1
Affinity DataKoff:  7s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291936((4S,7S)-2-(2,2-Dimethyl-propionyl)-4-(6-hydroxy-2-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc1nc(=O)c(=O)[nH]n1C)S2(=O)=O
Show InChI InChI=1S/C17H22N4O7S2/c1-7-8(10(22)17(2,3)4)21-13(25)9(28-6)14(21)30(26,27)15(7)29-16-18-11(23)12(24)19-20(16)5/h9,14-15H,1-6H3,(H,19,24)/t9-,14?,15-/m0/s1
Affinity DataKoff:  5.30s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291937(Acetic acid (S)-7-chloro-5,5,8-trioxo-2-phenylacet...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C17H16ClNO6S/c1-10(20)25-8-12-9-26(23,24)17-14(18)16(22)19(17)15(12)13(21)7-11-5-3-2-4-6-11/h2-6,14,17H,7-9H2,1H3/t14-,17?/m0/s1
Affinity DataKoff:  4.90s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291938(2,2-Dimethyl-propionic acid (4S,7S)-2-(2,2-dimethy...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(=O)C(C)(C)C)S2(=O)=O
Show InChI InChI=1S/C18H27NO7S/c1-9-10(12(20)17(2,3)4)19-13(21)11(25-8)14(19)27(23,24)15(9)26-16(22)18(5,6)7/h11,14-15H,1-8H3/t11-,14?,15-/m0/s1
Affinity DataKoff:  1.50E+6s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291939((4S,7S)-7-Chloro-2-(2,2-dimethyl-propionyl)-3-meth...)
Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C(=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClN5O4S2/c1-6-8(9(21)14(2,3)4)20-10(22)7(15)11(20)26(23,24)12(6)25-13-16-17-18-19(13)5/h7,11-12H,1-5H3/t7-,11?,12-/m0/s1
Affinity DataKoff:  1s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291940(CHEMBL433861 | Naphthalene-2-carboxylic acid (4S,7...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(=O)c1ccc3ccccc3c1)S2(=O)=O
Show InChI InChI=1S/C24H25NO7S/c1-13-17(19(26)24(2,3)4)25-20(27)18(31-5)21(25)33(29,30)23(13)32-22(28)16-11-10-14-8-6-7-9-15(14)12-16/h6-12,18,21,23H,1-5H3/t18-,21?,23-/m0/s1
Affinity DataKoff: >2.00E+6s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291941((S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-5,5-dioxo...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1ccccn1)CS2(=O)=O
Show InChI InChI=1S/C18H22N2O5S2/c1-18(2,3)15(21)13-11(9-26-12-7-5-6-8-19-12)10-27(23,24)17-14(25-4)16(22)20(13)17/h5-8,14,17H,9-10H2,1-4H3/t14-,17?/m0/s1
Affinity DataKoff:  2.30E+4s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291942(Benzoic acid (4S,7S)-2-(2,2-dimethyl-propionyl)-7-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nnnn1C)[C@@H](OC(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C22H25N5O7S2/c1-22(2,3)16(28)14-13(11-35-21-23-24-25-26(21)4)20(34-19(30)12-9-7-6-8-10-12)36(31,32)18-15(33-5)17(29)27(14)18/h6-10,15,18,20H,11H2,1-5H3/t15-,18?,20-/m0/s1
Affinity DataKoff: >2s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291943(Acetic acid (S)-7-chloro-2-(2,2-dimethyl-propionyl...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)C(C)(C)C
Show InChI InChI=1S/C14H18ClNO6S/c1-7(17)22-5-8-6-23(20,21)13-9(15)12(19)16(13)10(8)11(18)14(2,3)4/h9,13H,5-6H2,1-4H3/t9-,13?/m0/s1
Affinity DataKoff:  2.30s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291944((S)-2-(2,2-Dimethyl-propionyl)-3-(6-hydroxy-2-meth...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O
Show InChI InChI=1S/C17H22N4O7S2/c1-17(2,3)11(22)9-8(6-29-16-18-12(23)13(24)19-20(16)4)7-30(26,27)15-10(28-5)14(25)21(9)15/h10,15H,6-7H2,1-5H3,(H,19,24)/t10-,15?/m0/s1
Affinity DataKoff:  4.5s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291945((S)-2-Benzoyl-7-chloro-3-methyl-5,5-dioxo-5lambda*...)
Show SMILES CC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H12ClNO4S/c1-8-7-21(19,20)14-10(15)13(18)16(14)11(8)12(17)9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3/t10-,14?/m0/s1
Affinity DataKoff:  8s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291946(Acetic acid (4S,7S)-7-chloro-2-(2,2-dimethyl-propi...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C(=O)C(C)(C)C
Show InChI InChI=1S/C16H20ClN5O6S2/c1-7(23)28-6-8-10(11(24)16(2,3)4)22-12(25)9(17)13(22)30(26,27)14(8)29-15-18-19-20-21(15)5/h9,13-14H,6H2,1-5H3/t9-,13?,14-/m0/s1
Affinity DataKoff:  5.70s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291947(Benzoic acid (4S,7S)-2-(2,2-dimethyl-propionyl)-7-...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(=O)c1ccccc1)S2(=O)=O
Show InChI InChI=1S/C20H23NO7S/c1-11-13(15(22)20(2,3)4)21-16(23)14(27-5)17(21)29(25,26)19(11)28-18(24)12-9-7-6-8-10-12/h6-10,14,17,19H,1-5H3/t14-,17?,19-/m0/s1
Affinity DataKoff:  1.50E+6s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291948(Acetic acid (S)-2-benzoyl-7-chloro-5,5,8-trioxo-5l...)
Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H14ClNO6S/c1-9(19)24-7-11-8-25(22,23)16-12(17)15(21)18(16)13(11)14(20)10-5-3-2-4-6-10/h2-6,12,16H,7-8H2,1H3/t12-,16?/m0/s1
Affinity DataKoff:  1.5s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50003163((S)-1-((6R,7S)-3-Acetoxymethyl-7-methoxy-5,5,8-tri...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)N1CCCC1C(O)=O)=C(COC(C)=O)CS2(=O)=O
Show InChI InChI=1S/C16H20N2O9S/c1-8(19)27-6-9-7-28(24,25)15-12(26-2)14(21)18(15)11(9)13(20)17-5-3-4-10(17)16(22)23/h10,12,15H,3-7H2,1-2H3,(H,22,23)/t10?,12-,15+/m0/s1
Affinity DataKoff:  1.80E+3s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50280682((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O
Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/m0/s1
Affinity DataKoff:  90s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50015925((S)-7-Methoxy-3-(1-methyl-1H-tetrazol-5-ylsulfanyl...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(CSc1nnnn1C)CS2(=O)=O
Show InChI InChI=1S/C15H21N5O6S2/c1-15(2,3)26-13(22)9-8(6-27-14-16-17-18-19(14)4)7-28(23,24)12-10(25-5)11(21)20(9)12/h10,12H,6-7H2,1-5H3/t10-,12?/m0/s1
Affinity DataKoff:  2s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291949((4S,7S)-2-Benzoyl-7-methoxy-4-(1-methyl-1H-tetrazo...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)c1ccccc1)=C(CSc1nnnn1C)[C@@H](Sc1nnnn1C)S2(=O)=O
Show InChI InChI=1S/C19H19N9O5S3/c1-26-18(20-22-24-26)34-9-11-12(13(29)10-7-5-4-6-8-10)28-15(30)14(33-3)16(28)36(31,32)17(11)35-19-21-23-25-27(19)2/h4-8,14,16-17H,9H2,1-3H3/t14-,16?,17-/m0/s1
Affinity DataKoff:  2.20s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair
TargetNeutrophil elastase(Homo sapiens (Human))
Pharmacia-Farmitalia Carlo Erba

Curated by ChEMBL
LigandPNGBDBM50291913((4S,7S)-7-Methoxy-3-methyl-5,5,8-trioxo-4-(pyridin...)
Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)OC(C)(C)C)=C(C)[C@@H](Sc1ccccn1)S2(=O)=O
Show InChI InChI=1S/C18H22N2O6S2/c1-10-12(16(22)26-18(2,3)4)20-14(21)13(25-5)15(20)28(23,24)17(10)27-11-8-6-7-9-19-11/h6-9,13,15,17H,1-5H3/t13-,15?,17-/m0/s1
Affinity DataKoff:  4.70E+3s-1Assay Description:Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivationMore data for this Ligand-Target Pair