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Found 11 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' AND taxid = 10090   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil elastase


(Mus musculus)
BDBM50084637
PNG
(2,2-Dimethyl-propionic acid 4-[2-(carboxymethyl-ca...)
Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
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n/an/a 145n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50270031
PNG
(1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-3-(3-...)
Show SMILES [NH3+]C(Cc1sccc1F)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H16FN3OS/c18-13-6-7-23-15(13)8-14(20)16(22)21-17(10-19)9-12(17)11-4-2-1-3-5-11/h1-7,12,14H,8-9,20H2,(H,21,22)/p+1/t12-,14?,17+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50270040
PNG
((S)-1-((1R,2R)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@@H](Cc1cccs1)C(=O)N[C@@]1(C[C@@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50063047
PNG
(CHEMBL3398148)
Show SMILES C\C(=N\O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13-
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n/an/a 191n/an/an/an/an/an/a



Chang Gung University

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G using N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide as substrate measured for 180 mins by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50269858
PNG
(Trifluoro-acetate(S)-1-((1S,2S)-1-cyano-2-phenyl-c...)
Show SMILES [NH3+][C@@H](Cc1ccccc1F)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N
Show InChI InChI=1S/C19H18FN3O/c20-16-9-5-4-8-14(16)10-17(22)18(24)23-19(12-21)11-15(19)13-6-2-1-3-7-13/h1-9,15,17H,10-11,22H2,(H,23,24)/p+1/t15-,17-,19+/m0/s1
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n/an/a 5.49E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50269859
PNG
(2,2,2-trifluoroacetate; 5-(2-azaniumyl-2-{[(1S,2S)...)
Show SMILES [NH3+]C(Cc1c[nH+]cs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N
Show InChI InChI=1S/C16H16N4OS/c17-9-16(7-13(16)11-4-2-1-3-5-11)20-15(21)14(18)6-12-8-19-10-22-12/h1-5,8,10,13-14H,6-7,18H2,(H,20,21)/p+2/t13-,14?,16+/m0/s1
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n/an/a 7.93E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50052693
PNG
((2S,3S)-3-[(S)-3-Methyl-1-(3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM19516
PNG
((2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenyl...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H37N3O5S/c1-22(2)21-26(30-28(33)31-16-18-36-19-17-31)27(32)29-24(14-13-23-9-5-3-6-10-23)15-20-37(34,35)25-11-7-4-8-12-25/h3-12,15,20,22,24,26H,13-14,16-19,21H2,1-2H3,(H,29,32)(H,30,33)/t24-,26-/m1/s1
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n/an/a 2.55E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM19492
PNG
((2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroeth...)
Show SMILES CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N
Show InChI InChI=1S/C16H17BrF3N3O3S/c1-27(25,26)8-12(14(24)23-15(9-21)6-7-15)22-13(16(18,19)20)10-2-4-11(17)5-3-10/h2-5,12-13,22H,6-8H2,1H3,(H,23,24)/t12-,13-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50269860
PNG
(CHEMBL477531 | N-(cyanomethyl)-3-(3,5-dimethylphen...)
Show SMILES Cc1cc(C)cc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair
Neutrophil elastase


(Mus musculus)
BDBM50270039
PNG
((S)-1-((1S,2S)-1-cyano-2-phenylcyclopropylamino)-1...)
Show SMILES [NH3+][C@H](Cc1cccs1)C(=O)N[C@]1(C[C@H]1c1ccccc1)C#N
Show InChI InChI=1S/C17H17N3OS/c18-11-17(10-14(17)12-5-2-1-3-6-12)20-16(21)15(19)9-13-7-4-8-22-13/h1-8,14-15H,9-10,19H2,(H,20,21)/p+1/t14-,15+,17+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of neutrophil elastase activation in beta-estradiol differentiated mouse EcoM-G cells after 24 hrs


Citation and Details
More data for this
Ligand-Target Pair