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Compile Data Set for Download or QSAR

Found 150 hits Enz. Inhib. hit(s) with all data for entry = 50009579   
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
Chymase


(Homo sapiens (Human))
BDBM50085348
PNG
(CHEMBL60715 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C20H22ClNO2/c1-15-7-9-16(10-8-15)11-12-20(24)22-18(19(23)14-21)13-17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085351
PNG
(CHEMBL62160 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Fc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C19H19ClFNO2/c20-13-18(23)17(12-14-6-2-1-3-7-14)22-19(24)11-10-15-8-4-5-9-16(15)21/h1-9,17H,10-13H2,(H,22,24)/t17-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085339
PNG
(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085352
PNG
(CHEMBL62222 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-17(24)16(11-13-5-2-1-3-6-13)23-18(25)10-9-14-7-4-8-15(21)19(14)22/h1-8,16H,9-12H2,(H,23,25)/t16-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085338
PNG
(CHEMBL291397 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES Cc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C20H22ClNO2/c1-15-6-5-9-17(12-15)10-11-20(24)22-18(19(23)14-21)13-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085343
PNG
(CHEMBL64202 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1Cl
Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-14-6-2-1-3-7-14)22-19(24)11-10-15-8-4-5-9-16(15)21/h1-9,17H,10-13H2,(H,22,24)/t17-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085349
PNG
(CHEMBL64495 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H20ClNO2/c20-14-18(22)17(13-16-9-5-2-6-10-16)21-19(23)12-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,21,23)/t17-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085347
PNG
(CHEMBL59988 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C20H22ClNO3/c1-25-17-9-5-8-16(12-17)10-11-20(24)22-18(19(23)14-21)13-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085358
PNG
(CHEMBL60495 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C20H22ClNO2/c1-15-7-5-6-10-17(15)11-12-20(24)22-18(19(23)14-21)13-16-8-3-2-4-9-16/h2-10,18H,11-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085364
PNG
(CHEMBL59660 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccc(Cl)c1
Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-14-5-2-1-3-6-14)22-19(24)10-9-15-7-4-8-16(21)11-15/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085342
PNG
(CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC
Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/t17-/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085365
PNG
(CHEMBL305319 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES Fc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C19H19ClFNO2/c20-13-18(23)17(12-14-5-2-1-3-6-14)22-19(24)10-9-15-7-4-8-16(21)11-15/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085344
PNG
(5-Phenyl-pentanoic acid ((S)-1-benzyl-3-chloro-2-o...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCc1ccccc1
Show InChI InChI=1S/C21H24ClNO2/c22-16-20(24)19(15-18-12-5-2-6-13-18)23-21(25)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,23,25)/t19-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085360
PNG
(CHEMBL302387 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C17H16ClNO2/c18-12-16(20)15(11-13-7-3-1-4-8-13)19-17(21)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)/t15-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085353
PNG
(CHEMBL293590 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES CCc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C21H24ClNO2/c1-2-16-8-10-17(11-9-16)12-13-21(25)23-19(20(24)15-22)14-18-6-4-3-5-7-18/h3-11,19H,2,12-15H2,1H3,(H,23,25)/t19-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085361
PNG
(CHEMBL59998 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Oc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-14-5-2-1-3-6-14)21-19(24)10-9-15-7-4-8-16(22)11-15/h1-8,11,17,22H,9-10,12-13H2,(H,21,24)/t17-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085341
PNG
(CHEMBL294326 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES FC(F)(F)c1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C20H19ClF3NO2/c21-13-18(26)17(12-14-5-2-1-3-6-14)25-19(27)10-9-15-7-4-8-16(11-15)20(22,23)24/h1-8,11,17H,9-10,12-13H2,(H,25,27)/t17-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085355
PNG
(CHEMBL60080 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19Cl2NO2/c20-13-18(23)17(12-15-4-2-1-3-5-15)22-19(24)11-8-14-6-9-16(21)10-7-14/h1-7,9-10,17H,8,11-13H2,(H,22,24)/t17-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085356
PNG
(CHEMBL61933 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-6-5-9-16(19)11-12-20(24)22-17(18(23)14-21)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,22,24)/t17-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085350
PNG
(CHEMBL60245 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1OC
Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-8-16(13-20(19)27-2)9-11-21(25)23-17(18(24)14-22)12-15-6-4-3-5-7-15/h3-8,10,13,17H,9,11-12,14H2,1-2H3,(H,23,25)/t17-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085342
PNG
(CHEMBL61059 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1OC
Show InChI InChI=1S/C21H24ClNO4/c1-26-19-10-6-9-16(21(19)27-2)11-12-20(25)23-17(18(24)14-22)13-15-7-4-3-5-8-15/h3-10,17H,11-14H2,1-2H3,(H,23,25)/t17-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085366
PNG
(CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085366
PNG
(CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085359
PNG
(CHEMBL60241 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Fc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C19H19ClFNO2/c20-13-18(23)17(12-15-4-2-1-3-5-15)22-19(24)11-8-14-6-9-16(21)10-7-14/h1-7,9-10,17H,8,11-13H2,(H,22,24)/t17-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085357
PNG
(CHEMBL60244 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1
Show InChI InChI=1S/C20H22ClNO2/c21-15-19(23)18(14-17-10-5-2-6-11-17)22-20(24)13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,22,24)/t18-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085354
PNG
(CHEMBL60160 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C20H19ClF3NO2/c21-13-18(26)17(12-15-4-2-1-3-5-15)25-19(27)11-8-14-6-9-16(10-7-14)20(22,23)24/h1-7,9-10,17H,8,11-13H2,(H,25,27)/t17-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085345
PNG
(CHEMBL60776 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-15-4-2-1-3-5-15)21-19(24)11-8-14-6-9-16(22)10-7-14/h1-7,9-10,17,22H,8,11-13H2,(H,21,24)/t17-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085356
PNG
(CHEMBL61933 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-6-5-9-16(19)11-12-20(24)22-17(18(23)14-21)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,22,24)/t17-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085340
PNG
(CHEMBL448737 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES CC(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C22H26ClNO2/c1-16(2)19-11-8-17(9-12-19)10-13-22(26)24-20(21(25)15-23)14-18-6-4-3-5-7-18/h3-9,11-12,16,20H,10,13-15H2,1-2H3,(H,24,26)/t20-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085363
PNG
(CHEMBL60718 | L-1-Tosylamido-2-phenylethyl chlorom...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)CCl |r|
Show InChI InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Trypsin


(Sus scrofa)
BDBM50085340
PNG
(CHEMBL448737 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES CC(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C22H26ClNO2/c1-16(2)19-11-8-17(9-12-19)10-13-22(26)24-20(21(25)15-23)14-18-6-4-3-5-7-18/h3-9,11-12,16,20H,10,13-15H2,1-2H3,(H,24,26)/t20-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic trypsin (TRP)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085367
PNG
(CHEMBL63834 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C18H18ClNO2/c19-13-17(21)16(11-14-7-3-1-4-8-14)20-18(22)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085361
PNG
(CHEMBL59998 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Oc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-14-5-2-1-3-6-14)21-19(24)10-9-15-7-4-8-16(22)11-15/h1-8,11,17,22H,9-10,12-13H2,(H,21,24)/t17-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50085346
PNG
(CHEMBL294290 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-18(24)17(11-13-4-2-1-3-5-13)23-19(25)9-7-14-6-8-15(21)16(22)10-14/h1-6,8,10,17H,7,9,11-12H2,(H,23,25)/t17-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085362
PNG
(CHEMBL64494 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C19H18ClNO2/c20-14-18(22)17(13-16-9-5-2-6-10-16)21-19(23)12-11-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,21,23)/b12-11+/t17-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50085366
PNG
(CHEMBL292834 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C20H22ClNO3/c1-25-17-10-7-15(8-11-17)9-12-20(24)22-18(19(23)14-21)13-16-5-3-2-4-6-16/h2-8,10-11,18H,9,12-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085360
PNG
(CHEMBL302387 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C17H16ClNO2/c18-12-16(20)15(11-13-7-3-1-4-8-13)19-17(21)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)/t15-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085352
PNG
(CHEMBL62222 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H18Cl3NO2/c20-12-17(24)16(11-13-5-2-1-3-6-13)23-18(25)10-9-14-7-4-8-15(21)19(14)22/h1-8,16H,9-12H2,(H,23,25)/t16-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085338
PNG
(CHEMBL291397 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES Cc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1
Show InChI InChI=1S/C20H22ClNO2/c1-15-6-5-9-17(12-15)10-11-20(24)22-18(19(23)14-21)13-16-7-3-2-4-8-16/h2-9,12,18H,10-11,13-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50085356
PNG
(CHEMBL61933 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C20H22ClNO3/c1-25-19-10-6-5-9-16(19)11-12-20(24)22-17(18(23)14-21)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H,22,24)/t17-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50085367
PNG
(CHEMBL63834 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C18H18ClNO2/c19-13-17(21)16(11-14-7-3-1-4-8-14)20-18(22)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50085344
PNG
(5-Phenyl-pentanoic acid ((S)-1-benzyl-3-chloro-2-o...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCc1ccccc1
Show InChI InChI=1S/C21H24ClNO2/c22-16-20(24)19(15-18-12-5-2-6-13-18)23-21(25)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13,19H,7-8,11,14-16H2,(H,23,25)/t19-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte cathepsin G


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085358
PNG
(CHEMBL60495 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C20H22ClNO2/c1-15-7-5-6-10-17(15)11-12-20(24)22-18(19(23)14-21)13-16-8-3-2-4-9-16/h2-10,18H,11-14H2,1H3,(H,22,24)/t18-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50085354
PNG
(CHEMBL60160 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C20H19ClF3NO2/c21-13-18(26)17(12-15-4-2-1-3-5-15)25-19(27)11-8-14-6-9-16(10-7-14)20(22,23)24/h1-7,9-10,17H,8,11-13H2,(H,25,27)/t17-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085345
PNG
(CHEMBL60776 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES Oc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C19H20ClNO3/c20-13-18(23)17(12-15-4-2-1-3-5-15)21-19(24)11-8-14-6-9-16(22)10-7-14/h1-7,9-10,17,22H,8,11-13H2,(H,21,24)/t17-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsin-like elastase family member 2A


(Sus scrofa)
BDBM50085340
PNG
(CHEMBL448737 | N-((S)-1-Benzyl-3-chloro-2-oxo-prop...)
Show SMILES CC(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
Show InChI InChI=1S/C22H26ClNO2/c1-16(2)19-11-8-17(9-12-19)10-13-22(26)24-20(21(25)15-23)14-18-6-4-3-5-7-18/h3-9,11-12,16,20H,10,13-15H2,1-2H3,(H,24,26)/t20-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PPE)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50085362
PNG
(CHEMBL64494 | N-((S)-1-Benzyl-3-chloro-2-oxo-propy...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C19H18ClNO2/c20-14-18(22)17(13-16-9-5-2-6-10-16)21-19(23)12-11-15-7-3-1-4-8-15/h1-12,17H,13-14H2,(H,21,23)/b12-11+/t17-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against human serine protease chymase


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
Chymotrypsinogen A


(Bos taurus (bovine))
BDBM50085339
PNG
(((S)-1-Benzyl-3-chloro-2-oxo-propyl)-carbamic acid...)
Show SMILES ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-chymotrypsin(alpha-CT)


Bioorg Med Chem Lett 10: 199-201 (2000)


BindingDB Entry DOI: 10.7270/Q2VM4BGH
More data for this
Ligand-Target Pair
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