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PubMed code 16789748

Compile data set for download or QSAR
Found 31 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


(Sus scrofa)
BDBM50189833
PNG
((S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3...)
Show SMILES CCCCNC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C22H34FN3O5S/c1-6-7-12-24-22(29)20(27)18(13-14(2)3)25-21(28)19(15(4)5)26-32(30,31)17-10-8-16(23)9-11-17/h8-11,14-15,18-19,26H,6-7,12-13H2,1-5H3,(H,24,29)(H,25,28)/t18-,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189833
PNG
((S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3...)
Show SMILES CCCCNC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C22H34FN3O5S/c1-6-7-12-24-22(29)20(27)18(13-14(2)3)25-21(28)19(15(4)5)26-32(30,31)17-10-8-16(23)9-11-17/h8-11,14-15,18-19,26H,6-7,12-13H2,1-5H3,(H,24,29)(H,25,28)/t18-,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50114340
PNG
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50114340
PNG
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-for...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
Show InChI InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189828
PNG
(1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-11(2)10-14(15(21)19-13-8-9-23-16(13)22)20-17(24)18-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t13-,14-,16?/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189825
PNG
((2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H24N4O3S/c1-11(2)9-15(16(23)21-14-7-8-25-17(14)24)22-18(26)20-13-5-3-12(10-19)4-6-13/h3-6,11,14-15,17,24H,7-9H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189825
PNG
((2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H24N4O3S/c1-11(2)9-15(16(23)21-14-7-8-25-17(14)24)22-18(26)20-13-5-3-12(10-19)4-6-13/h3-6,11,14-15,17,24H,7-9H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189835
PNG
((2S)-2-((((4-fluorophenyl)amino)thioxomethyl)amino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H24FN3O3S/c1-10(2)9-14(15(22)20-13-7-8-24-16(13)23)21-17(25)19-12-5-3-11(18)4-6-12/h3-6,10,13-14,16,23H,7-9H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-,14-,16?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189822
PNG
((2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-12(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-11-13-6-4-3-5-7-13/h3-7,12,14-15,17,23H,8-11H2,1-2H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189832
PNG
((2S)-4-methyl-2-((((4-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(C)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-13-6-4-12(3)5-7-13/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189834
PNG
((2S)-2-((((3-cyanophenyl)amino)thioxomethyl)amino)...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(c1)C#N)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H24N4O3S/c1-11(2)8-15(16(23)21-14-6-7-25-17(14)24)22-18(26)20-13-5-3-4-12(9-13)10-19/h3-5,9,11,14-15,17,24H,6-8H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189831
PNG
((2S)-4-methyl-2-((((3-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(C)c1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)9-15(16(22)20-14-7-8-24-17(14)23)21-18(25)19-13-6-4-5-12(3)10-13/h4-6,10-11,14-15,17,23H,7-9H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189828
PNG
(1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-11(2)10-14(15(21)19-13-8-9-23-16(13)22)20-17(24)18-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t13-,14-,16?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189835
PNG
((2S)-2-((((4-fluorophenyl)amino)thioxomethyl)amino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H24FN3O3S/c1-10(2)9-14(15(22)20-13-7-8-24-16(13)23)21-17(25)19-12-5-3-11(18)4-6-12/h3-6,10,13-14,16,23H,7-9H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-,14-,16?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189827
PNG
((2S)-2-((((4-methoxyphenyl)amino)thioxomethyl)amin...)
Show SMILES COc1ccc(NC(=S)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1
Show InChI InChI=1S/C18H27N3O4S/c1-11(2)10-15(16(22)20-14-8-9-25-17(14)23)21-18(26)19-12-4-6-13(24-3)7-5-12/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,26)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189827
PNG
((2S)-2-((((4-methoxyphenyl)amino)thioxomethyl)amin...)
Show SMILES COc1ccc(NC(=S)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1
Show InChI InChI=1S/C18H27N3O4S/c1-11(2)10-15(16(22)20-14-8-9-25-17(14)23)21-18(26)19-12-4-6-13(24-3)7-5-12/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,26)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189822
PNG
((2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-12(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-11-13-6-4-3-5-7-13/h3-7,12,14-15,17,23H,8-11H2,1-2H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189830
PNG
((2S)-4-methyl-2-((((2-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1C)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)19-14-8-9-24-17(14)23)21-18(25)20-13-7-5-4-6-12(13)3/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,19,22)(H2,20,21,25)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189830
PNG
((2S)-4-methyl-2-((((2-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1C)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)19-14-8-9-24-17(14)23)21-18(25)20-13-7-5-4-6-12(13)3/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,19,22)(H2,20,21,25)/t14-,15-,17?/m0/s1
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Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189834
PNG
((2S)-2-((((3-cyanophenyl)amino)thioxomethyl)amino)...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(c1)C#N)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H24N4O3S/c1-11(2)8-15(16(23)21-14-6-7-25-17(14)24)22-18(26)20-13-5-3-4-12(9-13)10-19/h3-5,9,11,14-15,17,24H,6-8H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189831
PNG
((2S)-4-methyl-2-((((3-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(C)c1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)9-15(16(22)20-14-7-8-24-17(14)23)21-18(25)19-13-6-4-5-12(3)10-13/h4-6,10-11,14-15,17,23H,7-9H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50114342
PNG
((E)-2-(dimethylamino)-N'-((S)-2-((S)-2-(4-fluoroph...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NNC(=O)CN(C)C
Show InChI InChI=1S/C21H34FN5O4S/c1-14(2)11-17(12-23-25-19(28)13-27(5)6)24-21(29)20(15(3)4)26-32(30,31)18-9-7-16(22)8-10-18/h7-10,12,14-15,17,20,26H,11,13H2,1-6H3,(H,24,29)(H,25,28)/t17-,20-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189823
PNG
((2S,3S)-3-methyl-2-(((phenylamino)thioxomethyl)ami...)
Show SMILES CC[C@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-3-11(2)14(15(21)19-13-9-10-23-16(13)22)20-17(24)18-12-7-5-4-6-8-12/h4-8,11,13-14,16,22H,3,9-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t11-,13-,14-,16?/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189829
PNG
((2S)-3-methyl-2-(((phenylamino)thioxomethyl)amino)...)
Show SMILES CC(C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C16H23N3O3S/c1-10(2)13(14(20)18-12-8-9-22-15(12)21)19-16(23)17-11-6-4-3-5-7-11/h3-7,10,12-13,15,21H,8-9H2,1-2H3,(H,18,20)(H2,17,19,23)/t12-,13-,15?/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189826
PNG
((S)-2-(4-fluorophenylsulfonamido)-N-((3S)-2-hydrox...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C15H21FN2O5S/c1-9(2)13(14(19)17-12-7-8-23-15(12)20)18-24(21,22)11-5-3-10(16)4-6-11/h3-6,9,12-13,15,18,20H,7-8H2,1-2H3,(H,17,19)/t12-,13-,15?/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189832
PNG
((2S)-4-methyl-2-((((4-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(C)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-13-6-4-12(3)5-7-13/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189823
PNG
((2S,3S)-3-methyl-2-(((phenylamino)thioxomethyl)ami...)
Show SMILES CC[C@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-3-11(2)14(15(21)19-13-9-10-23-16(13)22)20-17(24)18-12-7-5-4-6-8-12/h4-8,11,13-14,16,22H,3,9-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t11-,13-,14-,16?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189829
PNG
((2S)-3-methyl-2-(((phenylamino)thioxomethyl)amino)...)
Show SMILES CC(C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C16H23N3O3S/c1-10(2)13(14(20)18-12-8-9-22-15(12)21)19-16(23)17-11-6-4-3-5-7-11/h3-7,10,12-13,15,21H,8-9H2,1-2H3,(H,18,20)(H2,17,19,23)/t12-,13-,15?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189826
PNG
((S)-2-(4-fluorophenylsulfonamido)-N-((3S)-2-hydrox...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C15H21FN2O5S/c1-9(2)13(14(19)17-12-7-8-23-15(12)20)18-24(21,22)11-5-3-10(16)4-6-11/h3-6,9,12-13,15,18,20H,7-8H2,1-2H3,(H,17,19)/t12-,13-,15?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50189824
PNG
(CHEMBL206737 | N-(1-cyano-3-methylbutyl)-2-((4-flu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C#N
Show InChI InChI=1S/C17H24FN3O3S/c1-11(2)9-14(10-19)20-17(22)16(12(3)4)21-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,21H,9H2,1-4H3,(H,20,22)/t14-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50189824
PNG
(CHEMBL206737 | N-(1-cyano-3-methylbutyl)-2-((4-flu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C#N
Show InChI InChI=1S/C17H24FN3O3S/c1-11(2)9-14(10-19)20-17(22)16(12(3)4)21-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,21H,9H2,1-4H3,(H,20,22)/t14-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


J Med Chem 49: 3926-32 (2006)


Article DOI: 10.1021/jm060157n
BindingDB Entry DOI: 10.7270/Q21R6Q48
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%