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PubMed code 9871780

Compile data set for download or QSAR
Found 85 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
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070439
PNG
(2-{(S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-di...)
Show SMILES CC[C@H](NC(=O)N1C(CC1=O)SC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C31H50N4O4S/c1-10-23(21-14-12-11-13-15-21)33-29(39)35-25(37)17-26(35)40-19-22(16-20(2)3)32-28(38)27(31(7,8)9)34-24(36)18-30(4,5)6/h11-15,20,22-23,26-27H,10,16-19H2,1-9H3,(H,32,38)(H,33,39)(H,34,36)/t22-,23-,26?,27+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070444
PNG
((3R,4S)-3-Methyl-2-oxo-4-(pyridin-2-ylmethylsulfan...)
Show SMILES CC[C@@H](NC(=O)N1[C@@H](SCc2ccccn2)[C@H](C)C1=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-3-17(15-9-5-4-6-10-15)22-20(25)23-18(24)14(2)19(23)26-13-16-11-7-8-12-21-16/h4-12,14,17,19H,3,13H2,1-2H3,(H,22,25)/t14-,17-,19+/m1/s1
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n/an/a<150n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070446
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21-,23?,24+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070440
PNG
(CHEMBL35762 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-o...)
Show SMILES CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O5S/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)37-28(6,7)8)17-38-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070444
PNG
((3R,4S)-3-Methyl-2-oxo-4-(pyridin-2-ylmethylsulfan...)
Show SMILES CC[C@@H](NC(=O)N1[C@@H](SCc2ccccn2)[C@H](C)C1=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-3-17(15-9-5-4-6-10-15)22-20(25)23-18(24)14(2)19(23)26-13-16-11-7-8-12-21-16/h4-12,14,17,19H,3,13H2,1-2H3,(H,22,25)/t14-,17-,19+/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070440
PNG
(CHEMBL35762 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-o...)
Show SMILES CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O5S/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)37-28(6,7)8)17-38-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070438
PNG
(2-Oxo-4-(2-oxo-2-phenyl-ethylsulfanyl)-azetidine-1...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O3S/c1-14(15-8-4-2-5-9-15)21-20(25)22-18(24)12-19(22)26-13-17(23)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3,(H,21,25)/t14-,19?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070435
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES CC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-2-16(14-8-4-3-5-9-14)21-19(24)22-17(23)12-18(22)25-13-15-10-6-7-11-20-15/h3-11,16,18H,2,12-13H2,1H3,(H,21,24)/t16-,18?/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070442
PNG
(CHEMBL263736 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O6/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)38-28(6,7)8)17-37-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070443
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((R)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21+,23?,24-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070444
PNG
((3R,4S)-3-Methyl-2-oxo-4-(pyridin-2-ylmethylsulfan...)
Show SMILES CC[C@@H](NC(=O)N1[C@@H](SCc2ccccn2)[C@H](C)C1=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-3-17(15-9-5-4-6-10-15)22-20(25)23-18(24)14(2)19(23)26-13-16-11-7-8-12-21-16/h4-12,14,17,19H,3,13H2,1-2H3,(H,22,25)/t14-,17-,19+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50065878
PNG
(2-Oxo-4-phenylsulfanyl-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2S/c1-13(14-8-4-2-5-9-14)19-18(22)20-16(21)12-17(20)23-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,22)/t13-,17?/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070441
PNG
(2-Oxo-4-(pyridin-3-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-7-3-2-4-8-15)20-18(23)21-16(22)10-17(21)24-12-14-6-5-9-19-11-14/h2-9,11,13,17H,10,12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070447
PNG
(2-Oxo-4-(pyridin-4-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccncc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-5-3-2-4-6-15)20-18(23)21-16(22)11-17(21)24-12-14-7-9-19-10-8-14/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070448
PNG
(2-Benzylsulfanyl-4-oxo-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H20N2O2S/c1-14(16-10-6-3-7-11-16)20-19(23)21-17(22)12-18(21)24-13-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3,(H,20,23)/t14-,18?/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070445
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(14-7-3-2-4-8-14)20-18(23)21-16(22)11-17(21)24-12-15-9-5-6-10-19-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50065878
PNG
(2-Oxo-4-phenylsulfanyl-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2S/c1-13(14-8-4-2-5-9-14)19-18(22)20-16(21)12-17(20)23-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,22)/t13-,17?/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070436
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES O=C(NCCOCc1ccccc1)N1C(CC1=O)SCc1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c23-17-12-18(26-14-16-8-4-5-9-20-16)22(17)19(24)21-10-11-25-13-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,24)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070437
PNG
(2-Oxo-4-phenethylsulfanyl-azetidine-1-carboxylic a...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-15(17-10-6-3-7-11-17)21-20(24)22-18(23)14-19(22)25-13-12-16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,21,24)/t15-,19?/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070442
PNG
(CHEMBL263736 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O6/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)38-28(6,7)8)17-37-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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n/an/a 8.30E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070447
PNG
(2-Oxo-4-(pyridin-4-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccncc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-5-3-2-4-6-15)20-18(23)21-16(22)11-17(21)24-12-14-7-9-19-10-8-14/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070435
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES CC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-2-16(14-8-4-3-5-9-14)21-19(24)22-17(23)12-18(22)25-13-15-10-6-7-11-20-15/h3-11,16,18H,2,12-13H2,1H3,(H,21,24)/t16-,18?/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070436
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES O=C(NCCOCc1ccccc1)N1C(CC1=O)SCc1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c23-17-12-18(26-14-16-8-4-5-9-20-16)22(17)19(24)21-10-11-25-13-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,24)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070441
PNG
(2-Oxo-4-(pyridin-3-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-7-3-2-4-8-15)20-18(23)21-16(22)10-17(21)24-12-14-6-5-9-19-11-14/h2-9,11,13,17H,10,12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a 6.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070437
PNG
(2-Oxo-4-phenethylsulfanyl-azetidine-1-carboxylic a...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-15(17-10-6-3-7-11-17)21-20(24)22-18(23)14-19(22)25-13-12-16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,21,24)/t15-,19?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070442
PNG
(CHEMBL263736 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O6/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)38-28(6,7)8)17-37-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070446
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21-,23?,24+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070443
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((R)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21+,23?,24-/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070434
PNG
(CHEMBL288793 | {4-[4-Oxo-1-((R)-1-phenyl-ethylcarb...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4S/c1-17(20-8-6-5-7-9-20)26-24(30)27-21(28)15-22(27)32-16-19-12-10-18(11-13-19)14-23(29)31-25(2,3)4/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)/t17-,22?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070443
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((R)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21+,23?,24-/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070434
PNG
(CHEMBL288793 | {4-[4-Oxo-1-((R)-1-phenyl-ethylcarb...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4S/c1-17(20-8-6-5-7-9-20)26-24(30)27-21(28)15-22(27)32-16-19-12-10-18(11-13-19)14-23(29)31-25(2,3)4/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)/t17-,22?/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070446
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21-,23?,24+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070448
PNG
(2-Benzylsulfanyl-4-oxo-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H20N2O2S/c1-14(16-10-6-3-7-11-16)20-19(23)21-17(22)12-18(21)24-13-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3,(H,20,23)/t14-,18?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070448
PNG
(2-Benzylsulfanyl-4-oxo-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H20N2O2S/c1-14(16-10-6-3-7-11-16)20-19(23)21-17(22)12-18(21)24-13-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3,(H,20,23)/t14-,18?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070442
PNG
(CHEMBL263736 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O6/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)38-28(6,7)8)17-37-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070445
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(14-7-3-2-4-8-14)20-18(23)21-16(22)11-17(21)24-12-15-9-5-6-10-19-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070448
PNG
(2-Benzylsulfanyl-4-oxo-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H20N2O2S/c1-14(16-10-6-3-7-11-16)20-19(23)21-17(22)12-18(21)24-13-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3,(H,20,23)/t14-,18?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070448
PNG
(2-Benzylsulfanyl-4-oxo-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H20N2O2S/c1-14(16-10-6-3-7-11-16)20-19(23)21-17(22)12-18(21)24-13-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3,(H,20,23)/t14-,18?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070445
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(14-7-3-2-4-8-14)20-18(23)21-16(22)11-17(21)24-12-15-9-5-6-10-19-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070441
PNG
(2-Oxo-4-(pyridin-3-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-7-3-2-4-8-15)20-18(23)21-16(22)10-17(21)24-12-14-6-5-9-19-11-14/h2-9,11,13,17H,10,12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50065878
PNG
(2-Oxo-4-phenylsulfanyl-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2S/c1-13(14-8-4-2-5-9-14)19-18(22)20-16(21)12-17(20)23-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,22)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070447
PNG
(2-Oxo-4-(pyridin-4-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccncc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-5-3-2-4-6-15)20-18(23)21-16(22)11-17(21)24-12-14-7-9-19-10-8-14/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070443
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((R)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21+,23?,24-/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070435
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES CC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-2-16(14-8-4-3-5-9-14)21-19(24)22-17(23)12-18(22)25-13-15-10-6-7-11-20-15/h3-11,16,18H,2,12-13H2,1H3,(H,21,24)/t16-,18?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070435
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES CC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-2-16(14-8-4-3-5-9-14)21-19(24)22-17(23)12-18(22)25-13-15-10-6-7-11-20-15/h3-11,16,18H,2,12-13H2,1H3,(H,21,24)/t16-,18?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070434
PNG
(CHEMBL288793 | {4-[4-Oxo-1-((R)-1-phenyl-ethylcarb...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4S/c1-17(20-8-6-5-7-9-20)26-24(30)27-21(28)15-22(27)32-16-19-12-10-18(11-13-19)14-23(29)31-25(2,3)4/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)/t17-,22?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50065878
PNG
(2-Oxo-4-phenylsulfanyl-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2S/c1-13(14-8-4-2-5-9-14)19-18(22)20-16(21)12-17(20)23-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,22)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070435
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES CC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C19H21N3O2S/c1-2-16(14-8-4-3-5-9-14)21-19(24)22-17(23)12-18(22)25-13-15-10-6-7-11-20-15/h3-11,16,18H,2,12-13H2,1H3,(H,21,24)/t16-,18?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070434
PNG
(CHEMBL288793 | {4-[4-Oxo-1-((R)-1-phenyl-ethylcarb...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4S/c1-17(20-8-6-5-7-9-20)26-24(30)27-21(28)15-22(27)32-16-19-12-10-18(11-13-19)14-23(29)31-25(2,3)4/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)/t17-,22?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070437
PNG
(2-Oxo-4-phenethylsulfanyl-azetidine-1-carboxylic a...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-15(17-10-6-3-7-11-17)21-20(24)22-18(23)14-19(22)25-13-12-16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,21,24)/t15-,19?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070439
PNG
(2-{(S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-di...)
Show SMILES CC[C@H](NC(=O)N1C(CC1=O)SC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C31H50N4O4S/c1-10-23(21-14-12-11-13-15-21)33-29(39)35-25(37)17-26(35)40-19-22(16-20(2)3)32-28(38)27(31(7,8)9)34-24(36)18-30(4,5)6/h11-15,20,22-23,26-27H,10,16-19H2,1-9H3,(H,32,38)(H,33,39)(H,34,36)/t22-,23-,26?,27+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070444
PNG
((3R,4S)-3-Methyl-2-oxo-4-(pyridin-2-ylmethylsulfan...)
Show SMILES CC[C@@H](NC(=O)N1[C@@H](SCc2ccccn2)[C@H](C)C1=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-3-17(15-9-5-4-6-10-15)22-20(25)23-18(24)14(2)19(23)26-13-16-11-7-8-12-21-16/h4-12,14,17,19H,3,13H2,1-2H3,(H,22,25)/t14-,17-,19+/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070440
PNG
(CHEMBL35762 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-o...)
Show SMILES CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O5S/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)37-28(6,7)8)17-38-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070445
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(14-7-3-2-4-8-14)20-18(23)21-16(22)11-17(21)24-12-15-9-5-6-10-19-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070438
PNG
(2-Oxo-4-(2-oxo-2-phenyl-ethylsulfanyl)-azetidine-1...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O3S/c1-14(15-8-4-2-5-9-15)21-20(25)22-18(24)12-19(22)26-13-17(23)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3,(H,21,25)/t14-,19?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070436
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES O=C(NCCOCc1ccccc1)N1C(CC1=O)SCc1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c23-17-12-18(26-14-16-8-4-5-9-20-16)22(17)19(24)21-10-11-25-13-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,24)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070436
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES O=C(NCCOCc1ccccc1)N1C(CC1=O)SCc1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c23-17-12-18(26-14-16-8-4-5-9-20-16)22(17)19(24)21-10-11-25-13-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,24)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070436
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES O=C(NCCOCc1ccccc1)N1C(CC1=O)SCc1ccccn1
Show InChI InChI=1S/C19H21N3O3S/c23-17-12-18(26-14-16-8-4-5-9-20-16)22(17)19(24)21-10-11-25-13-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,24)
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070441
PNG
(2-Oxo-4-(pyridin-3-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-7-3-2-4-8-15)20-18(23)21-16(22)10-17(21)24-12-14-6-5-9-19-11-14/h2-9,11,13,17H,10,12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50065878
PNG
(2-Oxo-4-phenylsulfanyl-azetidine-1-carboxylic acid...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H18N2O2S/c1-13(14-8-4-2-5-9-14)19-18(22)20-16(21)12-17(20)23-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,22)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070434
PNG
(CHEMBL288793 | {4-[4-Oxo-1-((R)-1-phenyl-ethylcarb...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccc(CC(=O)OC(C)(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4S/c1-17(20-8-6-5-7-9-20)26-24(30)27-21(28)15-22(27)32-16-19-12-10-18(11-13-19)14-23(29)31-25(2,3)4/h5-13,17,22H,14-16H2,1-4H3,(H,26,30)/t17-,22?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070439
PNG
(2-{(S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-di...)
Show SMILES CC[C@H](NC(=O)N1C(CC1=O)SC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C31H50N4O4S/c1-10-23(21-14-12-11-13-15-21)33-29(39)35-25(37)17-26(35)40-19-22(16-20(2)3)32-28(38)27(31(7,8)9)34-24(36)18-30(4,5)6/h11-15,20,22-23,26-27H,10,16-19H2,1-9H3,(H,32,38)(H,33,39)(H,34,36)/t22-,23-,26?,27+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070442
PNG
(CHEMBL263736 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O6/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)38-28(6,7)8)17-37-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070438
PNG
(2-Oxo-4-(2-oxo-2-phenyl-ethylsulfanyl)-azetidine-1...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O3S/c1-14(15-8-4-2-5-9-15)21-20(25)22-18(24)12-19(22)26-13-17(23)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3,(H,21,25)/t14-,19?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070439
PNG
(2-{(S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-di...)
Show SMILES CC[C@H](NC(=O)N1C(CC1=O)SC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C31H50N4O4S/c1-10-23(21-14-12-11-13-15-21)33-29(39)35-25(37)17-26(35)40-19-22(16-20(2)3)32-28(38)27(31(7,8)9)34-24(36)18-30(4,5)6/h11-15,20,22-23,26-27H,10,16-19H2,1-9H3,(H,32,38)(H,33,39)(H,34,36)/t22-,23-,26?,27+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070437
PNG
(2-Oxo-4-phenethylsulfanyl-azetidine-1-carboxylic a...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-15(17-10-6-3-7-11-17)21-20(24)22-18(23)14-19(22)25-13-12-16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,21,24)/t15-,19?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070441
PNG
(2-Oxo-4-(pyridin-3-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-7-3-2-4-8-15)20-18(23)21-16(22)10-17(21)24-12-14-6-5-9-19-11-14/h2-9,11,13,17H,10,12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070446
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21-,23?,24+/m0/s1
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Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070440
PNG
(CHEMBL35762 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-o...)
Show SMILES CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O5S/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)37-28(6,7)8)17-38-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070447
PNG
(2-Oxo-4-(pyridin-4-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccncc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-5-3-2-4-6-15)20-18(23)21-16(22)11-17(21)24-12-14-7-9-19-10-8-14/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070438
PNG
(2-Oxo-4-(2-oxo-2-phenyl-ethylsulfanyl)-azetidine-1...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O3S/c1-14(15-8-4-2-5-9-15)21-20(25)22-18(24)12-19(22)26-13-17(23)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3,(H,21,25)/t14-,19?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070437
PNG
(2-Oxo-4-phenethylsulfanyl-azetidine-1-carboxylic a...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-15(17-10-6-3-7-11-17)21-20(24)22-18(23)14-19(22)25-13-12-16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,21,24)/t15-,19?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50070445
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(14-7-3-2-4-8-14)20-18(23)21-16(22)11-17(21)24-12-15-9-5-6-10-19-15/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070440
PNG
(CHEMBL35762 | {(S)-1-[(S)-1-(1-Benzylcarbamoyl-4-o...)
Show SMILES CC(C)C[C@@H](CSC1CC(=O)N1C(=O)NCc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H44N4O5S/c1-18(2)14-20(30-24(34)23(27(3,4)5)31-26(36)37-28(6,7)8)17-38-22-15-21(33)32(22)25(35)29-16-19-12-10-9-11-13-19/h9-13,18,20,22-23H,14-17H2,1-8H3,(H,29,35)(H,30,34)(H,31,36)/t20-,22?,23+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070439
PNG
(2-{(S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-3,3-di...)
Show SMILES CC[C@H](NC(=O)N1C(CC1=O)SC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C31H50N4O4S/c1-10-23(21-14-12-11-13-15-21)33-29(39)35-25(37)17-26(35)40-19-22(16-20(2)3)32-28(38)27(31(7,8)9)34-24(36)18-30(4,5)6/h11-15,20,22-23,26-27H,10,16-19H2,1-9H3,(H,32,38)(H,33,39)(H,34,36)/t22-,23-,26?,27+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070449
PNG
(2-Oxo-4-(pyridin-2-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES OC[C@@H](NC(=O)N1C(CC1=O)SCc1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H19N3O3S/c22-11-15(13-6-2-1-3-7-13)20-18(24)21-16(23)10-17(21)25-12-14-8-4-5-9-19-14/h1-9,15,17,22H,10-12H2,(H,20,24)/t15-,17?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Pancreatic elastase


(Sus scrofa)
BDBM50070443
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((R)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21+,23?,24-/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase(PPE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50070438
PNG
(2-Oxo-4-(2-oxo-2-phenyl-ethylsulfanyl)-azetidine-1...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H20N2O3S/c1-14(15-8-4-2-5-9-15)21-20(25)22-18(24)12-19(22)26-13-17(23)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3,(H,21,25)/t14-,19?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase protease(HLE)


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070446
PNG
(((S)-2,2-Dimethyl-1-{(S)-3-methyl-1-[4-oxo-1-((S)-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1C(=O)N[C@@H](C)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H46N4O6/c1-18(2)15-21(31-25(35)24(28(4,5)6)32-27(37)39-29(7,8)9)17-38-23-16-22(34)33(23)26(36)30-19(3)20-13-11-10-12-14-20/h10-14,18-19,21,23-24H,15-17H2,1-9H3,(H,30,36)(H,31,35)(H,32,37)/t19-,21-,23?,24+/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Chymotrypsinogen B


(Homo sapiens)
BDBM50070447
PNG
(2-Oxo-4-(pyridin-4-ylmethylsulfanyl)-azetidine-1-c...)
Show SMILES C[C@@H](NC(=O)N1C(CC1=O)SCc1ccncc1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c1-13(15-5-3-2-4-6-15)20-18(23)21-16(22)11-17(21)24-12-14-7-9-19-10-8-14/h2-10,13,17H,11-12H2,1H3,(H,20,23)/t13-,17?/m1/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50070450
PNG
(CHEMBL32936 | {(S)-2,2-Dimethyl-1-[(S)-3-methyl-1-...)
Show SMILES CC(C)C[C@@H](COC1CC(=O)N1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C20H37N3O5/c1-12(2)9-13(11-27-15-10-14(24)22-15)21-17(25)16(19(3,4)5)23-18(26)28-20(6,7)8/h12-13,15-16H,9-11H2,1-8H3,(H,21,25)(H,22,24)(H,23,26)/t13-,15?,16+/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human cytomegalovirus(HCMV) protease


Bioorg Med Chem Lett 8: 1437-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00240-6
BindingDB Entry DOI: 10.7270/Q2J67G20
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%