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PubMed code 2391691

Compile data set for download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015885
PNG
(3-Acetoxymethyl-7-chloro-5,5,8-trioxo-5lambda*6*-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](Cl)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C14H18ClNO7S/c1-7(17)22-5-8-6-24(20,21)12-9(15)11(18)16(12)10(8)13(19)23-14(2,3)4/h9,12H,5-6H2,1-4H3/t9-,12+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015871
PNG
(3-Acetoxymethyl-7-fluoro-5,5,8-trioxo-5lambda*6*-t...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](F)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C14H18FNO7S/c1-7(17)22-5-8-6-24(20,21)12-9(15)11(18)16(12)10(8)13(19)23-14(2,3)4/h9,12H,5-6H2,1-4H3/t9-,12+/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015856
PNG
(3-Acetoxymethyl-7-formyloxy-5,5,8-trioxo-5lambda*6...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C15H19NO9S/c1-8(18)23-5-9-6-26(21,22)13-11(24-7-17)12(19)16(13)10(9)14(20)25-15(2,3)4/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A


(Sus scrofa (Pig))		BDBM50015856
PNG
(3-Acetoxymethyl-7-formyloxy-5,5,8-trioxo-5lambda*6...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C15H19NO9S/c1-8(18)23-5-9-6-26(21,22)13-11(24-7-17)12(19)16(13)10(9)14(20)25-15(2,3)4/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of porcine pancreatic elastase (PPE)

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015864
PNG
(3-Acetoxymethyl-7-methylcarbamoyloxy-5,5,8-trioxo-...)
Show SMILES CNC(=O)O[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:18|
Show InChI InChI=1S/C16H22N2O9S/c1-8(19)25-6-9-7-28(23,24)13-11(26-15(22)17-5)12(20)18(13)10(9)14(21)27-16(2,3)4/h11,13H,6-7H2,1-5H3,(H,17,22)/t11-,13+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015881
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenoxy-5lambda*6*-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](Oc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C20H23NO8S/c1-12(22)27-10-13-11-30(25,26)18-16(28-14-8-6-5-7-9-14)17(23)21(18)15(13)19(24)29-20(2,3)4/h5-9,16,18H,10-11H2,1-4H3/t16-,18+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015879
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:15|
Show InChI InChI=1S/C15H21NO8S/c1-8(17)23-6-9-7-25(20,21)13-11(22-5)12(18)16(13)10(9)14(19)24-15(2,3)4/h11,13H,6-7H2,1-5H3/t11-,13+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015880
PNG
(3-Acetoxymethyl-7-chloro-8-oxo-5-thia-1-aza-bicycl...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](Cl)C2=O)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C14H18ClNO5S/c1-7(17)20-5-8-6-22-12-9(15)11(18)16(12)10(8)13(19)21-14(2,3)4/h9,12H,5-6H2,1-4H3/t9-,12+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015858
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-(2,2,2-trifluoro-ac...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](NC(=O)C(F)(F)F)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C16H19F3N2O8S/c1-7(22)28-5-8-6-30(26,27)12-9(20-14(25)16(17,18)19)11(23)21(12)10(8)13(24)29-15(2,3)4/h9,12H,5-6H2,1-4H3,(H,20,25)/t9-,12+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015866
PNG
(3-Acetoxymethyl-7-ethyl-5,5,8-trioxo-5lambda*6*-th...)
Show SMILES CC[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:15|
Show InChI InChI=1S/C16H23NO7S/c1-6-11-13(19)17-12(15(20)24-16(3,4)5)10(7-23-9(2)18)8-25(21,22)14(11)17/h11,14H,6-8H2,1-5H3/t11-,14+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A


(Sus scrofa (Pig))		BDBM50015876
PNG
(7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of porcine pancreatic elastase (PPE)

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015883
PNG
(3-Acetoxymethyl-7-ethoxy-5,5,8-trioxo-5lambda*6*-t...)
Show SMILES CCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:16|
Show InChI InChI=1S/C16H23NO8S/c1-6-23-12-13(19)17-11(15(20)25-16(3,4)5)10(7-24-9(2)18)8-26(21,22)14(12)17/h12,14H,6-8H2,1-5H3/t12-,14+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015887
PNG
(3-Acetoxymethyl-7-formylamino-5,5,8-trioxo-5lambda...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](NC=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C15H20N2O8S/c1-8(19)24-5-9-6-26(22,23)13-10(16-7-18)12(20)17(13)11(9)14(21)25-15(2,3)4/h7,10,13H,5-6H2,1-4H3,(H,16,18)/t10-,13+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015875
PNG
(3-(2-Hydroxy-ethylidene)-7-oxo-4-oxa-1-aza-bicyclo...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C15H15NO5/c17-7-6-11-14(16-12(18)8-13(16)21-11)15(19)20-9-10-4-2-1-3-5-10/h1-6,13-14,17H,7-9H2/b11-6-/t13-,14-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015870
PNG
(3-Acetoxymethyl-7-methoxycarbonylamino-5,5,8-triox...)
Show SMILES COC(=O)N[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:18|
Show InChI InChI=1S/C16H22N2O9S/c1-8(19)26-6-9-7-28(23,24)13-10(17-15(22)25-5)12(20)18(13)11(9)14(21)27-16(2,3)4/h10,13H,6-7H2,1-5H3,(H,17,22)/t10-,13+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50406418
PNG
(CHEMBL2115202)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)C[S@@]2=O |t:15|
Show InChI InChI=1S/C15H21NO7S/c1-8(17)22-6-9-7-24(20)13-11(21-5)12(18)16(13)10(9)14(19)23-15(2,3)4/h11,13H,6-7H2,1-5H3/t11-,13+,24-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50015857
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenylacetoxy-5lamb...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of alpha-chymotrypsin enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015867
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenethyloxy-5lambd...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OCCc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C22H27NO8S/c1-14(24)30-12-16-13-32(27,28)20-18(29-11-10-15-8-6-5-7-9-15)19(25)23(20)17(16)21(26)31-22(2,3)4/h5-9,18,20H,10-13H2,1-4H3/t18-,20+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015872
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-(2-phenoxy-acetoxy)...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)COc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C22H25NO10S/c1-13(24)30-10-14-12-34(28,29)20-18(32-16(25)11-31-15-8-6-5-7-9-15)19(26)23(20)17(14)21(27)33-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015876
PNG
(7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015859
PNG
(3-Acetoxymethyl-7-formyloxy-8-oxo-5-thia-1-aza-bic...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](OC=O)C2=O)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C15H19NO7S/c1-8(18)21-5-9-6-24-13-11(22-7-17)12(19)16(13)10(9)14(20)23-15(2,3)4/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015874
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-propionyloxy-5lambd...)
Show SMILES CCC(=O)O[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:18|
Show InChI InChI=1S/C17H23NO9S/c1-6-11(20)26-13-14(21)18-12(16(22)27-17(3,4)5)10(7-25-9(2)19)8-28(23,24)15(13)18/h13,15H,6-8H2,1-5H3/t13-,15+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015898
PNG
(3-Acetoxymethyl-7-methoxy-8-oxo-5-thia-1-aza-bicyc...)
Show SMILES CO[C@@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(C)(C)C |c:11|
Show InChI InChI=1S/C15H21NO6S/c1-8(17)21-6-9-7-23-13-11(20-5)12(18)16(13)10(9)14(19)22-15(2,3)4/h11,13H,6-7H2,1-5H3/t11-,13+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015857
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenylacetoxy-5lamb...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015863
PNG
(3-Acetoxymethyl-7-benzyloxy-5,5,8-trioxo-5lambda*6...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OCc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C21H25NO8S/c1-13(23)28-11-15-12-31(26,27)19-17(29-10-14-8-6-5-7-9-14)18(24)22(19)16(15)20(25)30-21(2,3)4/h5-9,17,19H,10-12H2,1-4H3/t17-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 1/2A


(Sus scrofa (Pig))		BDBM50015857
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenylacetoxy-5lamb...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of Porcine pancreatic elastase (PPE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015886
PNG
(3-Acetoxymethyl-7-fluoro-8-oxo-5-thia-1-aza-bicycl...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](F)C2=O)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C14H18FNO5S/c1-7(17)20-5-8-6-22-12-9(15)11(18)16(12)10(8)13(19)21-14(2,3)4/h9,12H,5-6H2,1-4H3/t9-,12+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015873
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-propyl-5lambda*6*-t...)
Show SMILES CCC[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:16|
Show InChI InChI=1S/C17H25NO7S/c1-6-7-12-14(20)18-13(16(21)25-17(3,4)5)11(8-24-10(2)19)9-26(22,23)15(12)18/h12,15H,6-9H2,1-5H3/t12-,15+/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015897
PNG
(3-Acetoxymethyl-7-sec-butoxy-5,5,8-trioxo-5lambda*...)
Show SMILES CCC(C)O[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:18|
Show InChI InChI=1S/C18H27NO8S/c1-7-10(2)26-14-15(21)19-13(17(22)27-18(4,5)6)12(8-25-11(3)20)9-28(23,24)16(14)19/h10,14,16H,7-9H2,1-6H3/t10?,14-,16+/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015868
PNG
(3-Acetoxymethyl-7-isopropoxy-5,5,8-trioxo-5lambda*...)
Show SMILES CC(C)O[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:17|
Show InChI InChI=1S/C17H25NO8S/c1-9(2)25-13-14(20)18-12(16(21)26-17(4,5)6)11(7-24-10(3)19)8-27(22,23)15(13)18/h9,13,15H,7-8H2,1-6H3/t13-,15+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015862
PNG
(3-Acetoxymethyl-8-oxo-7-propionyloxy-5-thia-1-aza-...)
Show SMILES CCC(=O)O[C@@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(C)(C)C |c:14|
Show InChI InChI=1S/C17H23NO7S/c1-6-11(20)24-13-14(21)18-12(16(22)25-17(3,4)5)10(7-23-9(2)19)8-26-15(13)18/h13,15H,6-8H2,1-5H3/t13-,15+/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015869
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-(2,2,2-trifluoro-ac...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@H](NC(=O)C(F)(F)F)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C16H19F3N2O8S/c1-7(22)28-5-8-6-30(26,27)12-9(20-14(25)16(17,18)19)11(23)21(12)10(8)13(24)29-15(2,3)4/h9,12H,5-6H2,1-4H3,(H,20,25)/t9-,12-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015893
PNG
(3-Acetoxymethyl-7-butyl-5,5,8-trioxo-5lambda*6*-th...)
Show SMILES CCCC[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:17|
Show InChI InChI=1S/C18H27NO7S/c1-6-7-8-13-15(21)19-14(17(22)26-18(3,4)5)12(9-25-11(2)20)10-27(23,24)16(13)19/h13,16H,6-10H2,1-5H3/t13-,16+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015860
PNG
(3-Acetoxymethyl-7-(1-ethyl-propoxy)-5,5,8-trioxo-5...)
Show SMILES CCC(CC)O[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:19|
Show InChI InChI=1S/C19H29NO8S/c1-7-13(8-2)27-15-16(22)20-14(18(23)28-19(4,5)6)12(9-26-11(3)21)10-29(24,25)17(15)20/h13,15,17H,7-10H2,1-6H3/t15-,17+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50015857
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-phenylacetoxy-5lamb...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of Trypsin

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015890
PNG
(3-Acetoxymethyl-7-benzoyloxy-5,5,8-trioxo-5lambda*...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)c3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C21H23NO9S/c1-12(23)29-10-14-11-32(27,28)18-16(30-19(25)13-8-6-5-7-9-13)17(24)22(18)15(14)20(26)31-21(2,3)4/h5-9,16,18H,10-11H2,1-4H3/t16-,18+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015884
PNG
(3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bicyclo...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C14H20N2O5S/c1-7(17)20-5-8-6-22-12-9(15)11(18)16(12)10(8)13(19)21-14(2,3)4/h9,12H,5-6,15H2,1-4H3/t9-,12-/m1/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015892
PNG
(7-Acetoxy-3-acetoxymethyl-8-oxo-5-thia-1-aza-bicyc...)
Show SMILES CC(=O)OCC1=C(N2[C@H](SC1)[C@@H](OC(C)=O)C2=O)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C16H21NO7S/c1-8(18)22-6-10-7-25-14-12(23-9(2)19)13(20)17(14)11(10)15(21)24-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015882
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-(2-thiophen-2-yl-ac...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@H](NC(=O)Cc3cccs3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C20H24N2O8S2/c1-11(23)29-9-12-10-32(27,28)18-15(21-14(24)8-13-6-5-7-31-13)17(25)22(18)16(12)19(26)30-20(2,3)4/h5-7,15,18H,8-10H2,1-4H3,(H,21,24)/t15-,18-/m1/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015865
PNG
(3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CO[C@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:15|
Show InChI InChI=1S/C15H21NO8S/c1-8(17)23-6-9-7-25(20,21)13-11(22-5)12(18)16(13)10(9)14(19)24-15(2,3)4/h11,13H,6-7H2,1-5H3/t11-,13-/m1/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50015856
PNG
(3-Acetoxymethyl-7-formyloxy-5,5,8-trioxo-5lambda*6...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C15H19NO9S/c1-8(18)23-5-9-6-26(21,22)13-11(24-7-17)12(19)16(13)10(9)14(20)25-15(2,3)4/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of bovine trypsin (Trp)

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015877
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-propoxy-5lambda*6*-...)
Show SMILES CCCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:17|
Show InChI InChI=1S/C17H25NO8S/c1-6-7-24-13-14(20)18-12(16(21)26-17(3,4)5)11(8-25-10(2)19)9-27(22,23)15(13)18/h13,15H,6-9H2,1-5H3/t13-,15+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015855
PNG
(3-Acetoxymethyl-7-ethoxy-5,8-dioxo-5lambda*4*-thia...)
Show SMILES CCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2=O |t:16|
Show InChI InChI=1S/C16H23NO7S/c1-6-22-12-13(19)17-11(15(20)24-16(3,4)5)10(7-23-9(2)18)8-25(21)14(12)17/h12,14H,6-8H2,1-5H3/t12-,14+,25?/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50406417
PNG
(CHEMBL2114195)
Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)C[S@]2=O |t:15|
Show InChI InChI=1S/C15H21NO7S/c1-8(17)22-6-9-7-24(20)13-11(21-5)12(18)16(13)10(9)14(19)23-15(2,3)4/h11,13H,6-7H2,1-5H3/t11-,13+,24+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015889
PNG
(3-Acetoxymethyl-7-ethoxy-8-oxo-5-thia-1-aza-bicycl...)
Show SMILES CCO[C@@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(C)(C)C |c:12|
Show InChI InChI=1S/C16H23NO6S/c1-6-21-12-13(19)17-11(15(20)23-16(3,4)5)10(7-22-9(2)18)8-24-14(12)17/h12,14H,6-8H2,1-5H3/t12-,14+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50015876
PNG
(7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of bovine alpha-chymotrypsin (ChT)

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015895
PNG
(3-Acetoxymethyl-5,5,8-trioxo-5lambda*6*-thia-1-aza...)
Show SMILES CC(=O)OCC1=C(N2[C@@H](CC2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C14H19NO7S/c1-8(16)21-6-9-7-23(19,20)11-5-10(17)15(11)12(9)13(18)22-14(2,3)4/h11H,5-7H2,1-4H3/t11-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015855
PNG
(3-Acetoxymethyl-7-ethoxy-5,8-dioxo-5lambda*4*-thia...)
Show SMILES CCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2=O |t:16|
Show InChI InChI=1S/C16H23NO7S/c1-6-22-12-13(19)17-11(15(20)24-16(3,4)5)10(7-23-9(2)18)8-25(21)14(12)17/h12,14H,6-8H2,1-5H3/t12-,14+,25?/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015861
PNG
(3-Acetoxymethyl-8-oxo-7-propoxy-5-thia-1-aza-bicyc...)
Show SMILES CCCO[C@@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(C)(C)C |c:13|
Show InChI InChI=1S/C17H25NO6S/c1-6-7-22-13-14(20)18-12(16(21)24-17(3,4)5)11(8-23-10(2)19)9-25-15(13)18/h13,15H,6-9H2,1-5H3/t13-,15+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015896
PNG
(3-Acetoxymethyl-5,5,8-trioxo-7-(2-thiophen-2-yl-ac...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](NC(=O)Cc3cccs3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C20H24N2O8S2/c1-11(23)29-9-12-10-32(27,28)18-15(21-14(24)8-13-6-5-7-31-13)17(25)22(18)16(12)19(26)30-20(2,3)4/h5-7,15,18H,8-10H2,1-4H3,(H,21,24)/t15-,18+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM50015876
PNG
(7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...)
Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5|
Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1
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Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of Trypsin

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015888
PNG
(3-Acetoxymethyl-7-butoxy-8-oxo-5-thia-1-aza-bicycl...)
Show SMILES CCCCO[C@@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(C)(C)C |c:14|
Show InChI InChI=1S/C18H27NO6S/c1-6-7-8-23-14-15(21)19-13(17(22)25-18(3,4)5)12(9-24-11(2)20)10-26-16(14)19/h14,16H,6-10H2,1-5H3/t14-,16+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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n/an/a<4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015894
PNG
(3-Acetoxymethyl-7-sec-butoxy-8-oxo-5-thia-1-aza-bi...)
Show SMILES CCC(C)O[C@@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(=O)OC(C)(C)C |c:14|
Show InChI InChI=1S/C18H27NO6S/c1-7-10(2)24-14-15(21)19-13(17(22)25-18(4,5)6)12(8-23-11(3)20)9-26-16(14)19/h10,14,16H,7-9H2,1-6H3/t10?,14-,16+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50015891
PNG
(3-Acetoxymethyl-7-butoxy-5,5,8-trioxo-5lambda*6*-t...)
Show SMILES CCCCO[C@@H]1[C@@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:18|
Show InChI InChI=1S/C18H27NO8S/c1-6-7-8-25-14-15(21)19-13(17(22)27-18(3,4)5)12(9-26-11(2)20)10-28(23,24)16(14)19/h14,16H,6-10H2,1-5H3/t14-,16+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme

J Med Chem 33: 2513-21 (1990)


BindingDB Entry DOI: 10.7270/Q2Q81C2Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%