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PubMed code 12617890

Compile data set for download or QSAR
Found 9 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 small subunit 1


(Sus scrofa)
BDBM50124028
PNG
((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H28N2O4S/c1-16(2)13-21(24-29(27,28)20-11-9-17(3)10-12-20)22(26)23-19(15-25)14-18-7-5-4-6-8-18/h4-12,15-16,19,21,24H,13-14H2,1-3H3,(H,23,26)/t19?,21-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine calpain I


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50124028
PNG
((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H28N2O4S/c1-16(2)13-21(24-29(27,28)20-11-9-17(3)10-12-20)22(26)23-19(15-25)14-18-7-5-4-6-8-18/h4-12,15-16,19,21,24H,13-14H2,1-3H3,(H,23,26)/t19?,21-/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of human liver cathepsin B


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124032
PNG
(3-(Toluene-4-sulfonyl)-thiazolidine-2-carboxylic a...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCSC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-11-12-27-20(22)19(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,20H,11-13H2,1H3,(H,21,24)
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70n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine Calpain 1


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124029
PNG
(1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C21H24N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-20(23)21(25)22-18(15-24)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,18,20H,5,8,13-14H2,1H3,(H,22,25)
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80n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine Calpain 1


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124030
PNG
(1-(Toluene-4-sulfonyl)-azetidine-2-carboxylic acid...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-19(22)20(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,19H,11-13H2,1H3,(H,21,24)
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250n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine Calpain 1


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Calpain small subunit 1


(Sus scrofa)
BDBM50124031
PNG
(1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H26N2O4S/c1-17-10-12-20(13-11-17)29(27,28)24-14-6-5-9-21(24)22(26)23-19(16-25)15-18-7-3-2-4-8-18/h2-4,7-8,10-13,16,19,21H,5-6,9,14-15H2,1H3,(H,23,26)
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540n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of porcine calpain I


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50124030
PNG
(1-(Toluene-4-sulfonyl)-azetidine-2-carboxylic acid...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H22N2O4S/c1-15-7-9-18(10-8-15)27(25,26)22-12-11-19(22)20(24)21-17(14-23)13-16-5-3-2-4-6-16/h2-10,14,17,19H,11-13H2,1H3,(H,21,24)
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2.75E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of human liver Cathepsin B


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50124031
PNG
(1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic aci...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H26N2O4S/c1-17-10-12-20(13-11-17)29(27,28)24-14-6-5-9-21(24)22(26)23-19(16-25)15-18-7-3-2-4-8-18/h2-4,7-8,10-13,16,19,21H,5-6,9,14-15H2,1H3,(H,23,26)
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5.26E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of human liver cathepsin B


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50124029
PNG
(1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C21H24N2O4S/c1-16-9-11-19(12-10-16)28(26,27)23-13-5-8-20(23)21(25)22-18(15-24)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,15,18,20H,5,8,13-14H2,1H3,(H,22,25)
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1.21E+4n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Compound tested for inhibition of human liver Cathepsin B


Bioorg Med Chem Lett 13: 783-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PN950V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%