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PubMed code 2724298

Compile data set for download or QSAR
Found 11 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
Papain


(Carica papaya)		BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8|
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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 500n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8|
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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 700n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50018173
PNG
(CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1
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 2.50E+4n/an/an/an/an/an/a5.5n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8|
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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 2.60E+4n/an/an/an/an/an/a7.8n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50018173
PNG
(CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1
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 3.00E+4n/an/an/an/an/an/a7.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8|
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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 3.10E+4n/an/an/an/an/an/a7.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Initial rate of reaction between Chymotrypsinogen and BzArg p-nitro-anilide in the presence of 400 microM of the compound at pH 7

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50018173
PNG
(CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1
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 3.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50018174
PNG
(CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8|
Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1
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 4.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5.5

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50018175
PNG
(CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...)
Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 |w:3.2|
Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)
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 4.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50018175
PNG
(CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...)
Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 |w:3.2|
Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)
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 4.80E+4n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7.8

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
Chymotrypsin-C


(Homo sapiens (Human))		BDBM50018173
PNG
(CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...)
Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10|
Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1
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>8.00E+6n/an/an/an/an/an/a5.0n/a



Amherst College

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5

J Med Chem 32: 1253-9 (1989)


BindingDB Entry DOI: 10.7270/Q2K64H2K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%