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PubMed code 10052963

Compile data set for download or QSAR
Found 7 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
Calpain-2 catalytic subunit


(Sus scrofa)		BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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 4.20E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of Calpain 2

J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Calpain-2 catalytic subunit


(Sus scrofa)		BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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 4.20E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of calpain 1

J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50074051
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25-,26?,27?,36?/m0/s1
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 9.30E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of cathepsin H

J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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 1.37E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of cathepsin H

J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50074052
PNG
(1-(2-Benzyloxycarbonylamino-propionyl)-aziridine-2...)
Show SMILES CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C19H24N2O7/c1-4-26-17(23)14-15(18(24)27-5-2)21(14)16(22)12(3)20-19(25)28-11-13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3,(H,20,25)/t12-,14?,15?,21?/m0/s1
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 1.60E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of Cathepsin H

J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50074048
PNG
(1-((S)-2-tert-Butoxycarbonylamino-3-phenyl-propion...)
Show SMILES CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCC
Show InChI InChI=1S/C22H30N2O7/c1-6-29-19(26)16-17(20(27)30-7-2)24(16)18(25)15(13-14-11-9-8-10-12-14)23-21(28)31-22(3,4)5/h8-12,15-17H,6-7,13H2,1-5H3,(H,23,28)/t15-,16?,17?,24?/m0/s1
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 2.10E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition constant for the non-time dependent inhibition of Cathepsin H.

J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Pro-cathepsin H


(Homo sapiens (Human))		BDBM50074049
PNG
(3-((S)-1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)C1NC1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H26N2O5/c1-4-25-19(24)16-15(21-16)17(22)20-14(10-12(2)3)18(23)26-11-13-8-6-5-7-9-13/h5-9,12,14-16,21H,4,10-11H2,1-3H3,(H,20,22)/t14-,15?,16?/m0/s1
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PubMed
 2.60E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of cathepsin H

J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%