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Compile Data Set for Download or QSAR

Found 220 hits Enz. Inhib. hit(s) with Target = 'Calpain 2'   
Target
(Institution)
LigandTarget
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


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358153
PNG
(CHEMBL1921830)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H37N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,18,20,23,25-26H,6-7,10,15-17,19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50284777
PNG
(CHEMBL36969 | Z-Phe-Tyr(Bu)-H)
Show SMILES CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C30H34N2O6/c1-2-3-18-37-25-16-14-23(15-17-25)20-27(29(34)35)31-28(33)26(19-22-10-6-4-7-11-22)32-30(36)38-21-24-12-8-5-9-13-24/h4-17,26-27H,2-3,18-21H2,1H3,(H,31,33)(H,32,36)(H,34,35)/t26-,27-/m0/s1
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n/an/a 79.6n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its inhibitory activity against calpain 2


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358152
PNG
(CHEMBL1921829)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H35N3O6/c1-19(2)25-27(34)29-22(17-32)10-6-7-15-36-23-13-11-20(12-14-23)16-24(26(33)31-25)30-28(35)37-18-21-8-4-3-5-9-21/h3-5,8-9,11-14,17,19,22,24-25H,6-7,10,15-16,18H2,1-2H3,(H,29,34)(H,30,35)(H,31,33)/t22-,24-,25-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50263559
PNG
(((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-...)
Show SMILES COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


Citation and Details
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50263560
PNG
(2-methoxyethyl (S)-1-((S)-4-(cyclopropylamino)-3,4...)
Show SMILES COCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C23H33N3O6/c1-15(2)13-19(26-23(30)32-12-11-31-3)21(28)25-18(14-16-7-5-4-6-8-16)20(27)22(29)24-17-9-10-17/h4-8,15,17-19H,9-14H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/t18-,19-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50284776
PNG
(CHEMBL36904 | Z-Phe-Tyr(Me)-H)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H28N2O6/c1-34-22-14-12-20(13-15-22)17-24(26(31)32)28-25(30)23(16-19-8-4-2-5-9-19)29-27(33)35-18-21-10-6-3-7-11-21/h2-15,23-24H,16-18H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t23-,24-/m0/s1
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TBA

Assay Description
Compound was tested for its inhibitory activity against calpain 2


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50284780
PNG
(CHEMBL36801 | Z-Phe-Phe-H)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1
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TBA

Assay Description
Compound was tested for its inhibitory activity against Calpain 2


Citation and Details
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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n/an/a 120n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


Citation and Details
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50263561
PNG
(2-(2-(2-methoxyethoxy)ethoxy)ethyl (S)-1-((S)-4-(c...)
Show SMILES COCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C27H41N3O8/c1-19(2)17-23(30-27(34)38-16-15-37-14-13-36-12-11-35-3)25(32)29-22(18-20-7-5-4-6-8-20)24(31)26(33)28-21-9-10-21/h4-8,19,21-23H,9-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t22-,23-/m0/s1
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Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM23866
PNG
(MDL28170 | Z-Val-Phe-CHO | benzyl N-[(1S)-2-methyl...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)
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n/an/a 150n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
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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n/an/a 170n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50263613
PNG
(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethyl (S)-1...)
Show SMILES COCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C29H45N3O9/c1-21(2)19-25(32-29(36)41-18-17-40-16-15-39-14-13-38-12-11-37-3)27(34)31-24(20-22-7-5-4-6-8-22)26(33)28(35)30-23-9-10-23/h4-8,21,23-25H,9-20H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25-/m0/s1
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Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358155
PNG
(CHEMBL1921832)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H39N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,19,21,24,26-27H,4,7-8,11,16-18,20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50284779
PNG
(CHEMBL36146 | Z-Phe-Tyr-H)
Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N2O6/c29-21-13-11-19(12-14-21)16-23(25(31)32)27-24(30)22(15-18-7-3-1-4-8-18)28-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,29H,15-17H2,(H,27,30)(H,28,33)(H,31,32)/t22-,23-/m0/s1
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TBA

Assay Description
Compound was tested for its inhibitory activity against calpain 2


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50084650
PNG
(CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...)
Show SMILES Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C=O)cc1
Show InChI InChI=1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,31)(H,28,32)/t22-,24-/m0/s1
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n/an/a 184n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against Calpain 2


J Med Chem 43: 305-41 (2000)

Checked by Author
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


Citation and Details
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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n/an/a 190n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


Citation and Details
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50263558
PNG
(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)e...)
Show SMILES COCCOCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C31H49N3O10/c1-23(2)21-27(34-31(38)44-20-19-43-18-17-42-16-15-41-14-13-40-12-11-39-3)29(36)33-26(22-24-7-5-4-6-8-24)28(35)30(37)32-25-9-10-25/h4-8,23,25-27H,9-22H2,1-3H3,(H,32,37)(H,33,36)(H,34,38)/t26-,27-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


Citation and Details
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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n/an/a 200n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


Citation and Details
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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n/an/a 240n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


Citation and Details
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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n/an/a 250n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358148
PNG
(CHEMBL1921825)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H32FN3O6S/c1-17(2)24-26(33)28-20(16-31)5-3-4-14-36-21-10-6-18(7-11-21)15-23(25(32)29-24)30-37(34,35)22-12-8-19(27)9-13-22/h6-13,16-17,20,23-24,30H,3-5,14-15H2,1-2H3,(H,28,33)(H,29,32)/t20-,23-,24-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358157
PNG
(CHEMBL1921834)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H37N3O6S/c1-20(2)26-28(35)30-23(17-33)19-39-15-7-6-14-37-24-12-10-21(11-13-24)16-25(27(34)32-26)31-29(36)38-18-22-8-4-3-5-9-22/h3-5,8-13,17,20,23,25-26H,6-7,14-16,18-19H2,1-2H3,(H,30,35)(H,31,36)(H,32,34)/t23-,25+,26+/m1/s1
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n/an/a 295n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110185
PNG
(Z-FF-FMK | benzyl N-[1-[(4-fluoro-3-oxo-1-phenylbu...)
Show SMILES FCC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H27FN2O4/c28-18-25(31)23(16-20-10-4-1-5-11-20)29-26(32)24(17-21-12-6-2-7-13-21)30-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)
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n/an/a 418n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358154
PNG
(CHEMBL1921831)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H39N3O6/c1-20(2)16-25-27(34)30-23(18-33)10-6-7-15-37-24-13-11-21(12-14-24)17-26(28(35)31-25)32-29(36)38-19-22-8-4-3-5-9-22/h3-5,8-9,11-14,20,23,25-26,33H,6-7,10,15-19H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t23-,25-,26-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358150
PNG
(CHEMBL1921827)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H35N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,17,19,22,24-25H,6,9,14-16,18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358158
PNG
(CHEMBL1921835)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H39N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,18,21,24,26-27H,6-7,14-17,19-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358156
PNG
(CHEMBL1921833)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H41N3O6/c1-21(2)17-26-28(35)31-24(19-34)11-7-4-8-16-38-25-14-12-22(13-15-25)18-27(29(36)32-26)33-30(37)39-20-23-9-5-3-6-10-23/h3,5-6,9-10,12-15,21,24,26-27,34H,4,7-8,11,16-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26-,27-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358149
PNG
(CHEMBL1921826)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN3O6S2/c1-18(2)25-27(34)29-21(16-32)17-38-14-4-3-13-37-22-9-5-19(6-10-22)15-24(26(33)30-25)31-39(35,36)23-11-7-20(28)8-12-23/h5-12,16,18,21,24-25,31H,3-4,13-15,17H2,1-2H3,(H,29,34)(H,30,33)/t21-,24+,25+/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358147
PNG
(CHEMBL1921824)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@H](NC1=O)C=O)cc2)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H30FN3O6S/c1-16(2)23-25(32)27-19(15-30)4-3-13-35-20-9-5-17(6-10-20)14-22(24(31)28-23)29-36(33,34)21-11-7-18(26)8-12-21/h5-12,15-16,19,22-23,29H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,31)/t19-,22-,23-/m0/s1
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n/an/a 3.71E+3n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110190
PNG
(1-(2,4-Dihydroxyphenyl)-3-(furan-2-yl)propenone (1...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccco2)c(O)c1
Show InChI InChI=1S/C13H10O4/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+
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n/an/a 2.54E+4n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358159
PNG
(CHEMBL1921836)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCSC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H41N3O6S/c1-21(2)16-26-28(35)31-24(18-34)20-40-15-7-6-14-38-25-12-10-22(11-13-25)17-27(29(36)32-26)33-30(37)39-19-23-8-4-3-5-9-23/h3-5,8-13,21,24,26-27,34H,6-7,14-20H2,1-2H3,(H,31,35)(H,32,36)(H,33,37)/t24-,26+,27+/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50358151
PNG
(CHEMBL1921828)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(OCCC[C@@H](CO)NC1=O)cc2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H37N3O6/c1-19(2)15-24-26(33)29-22(17-32)9-6-14-36-23-12-10-20(11-13-23)16-25(27(34)30-24)31-28(35)37-18-21-7-4-3-5-8-21/h3-5,7-8,10-13,19,22,24-25,32H,6,9,14-18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t22-,24-,25-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Canterbury

Curated by ChEMBL


Assay Description
Inhibition of CAPN2 using BODIPY-labeled casein substrate by fluorometric analysis


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More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110189
PNG
(1-(2,4-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...)
Show SMILES Oc1ccc(C(=O)\C=C\c2cccs2)c(O)c1
Show InChI InChI=1S/C13H10O3S/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,14,16H/b6-4+
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n/an/a 3.99E+4n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110191
PNG
(3-(2,4-Dihydroxyphenyl)-1-(thiophen-2-yl)propenone...)
Show SMILES Oc1ccc(\C=C\C(=O)c2cccs2)c(O)c1
Show InChI InChI=1S/C13H10O3S/c14-10-5-3-9(12(16)8-10)4-6-11(15)13-2-1-7-17-13/h1-8,14,16H/b6-4+
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n/an/a 6.02E+4n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110196
PNG
(1-(3,5-Dihydroxyphenyl)-3-(thiophen-3-yl)propenone...)
Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccsc1
Show InChI InChI=1S/C13H10O3S/c14-11-5-10(6-12(15)7-11)13(16)2-1-9-3-4-17-8-9/h1-8,14-15H/b2-1+
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n/an/a 9.73E+4n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110188
PNG
(1-(2,4-Dihydroxyphenyl)-3-(pyridin-2-yl)propenone ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccn2)c(O)c1
Show InChI InChI=1S/C14H11NO3/c16-11-5-6-12(14(18)9-11)13(17)7-4-10-3-1-2-8-15-10/h1-9,16,18H/b7-4+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110186
PNG
(1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccncc2)c(O)c1
Show InChI InChI=1S/C14H11NO3/c16-11-2-3-12(14(18)9-11)13(17)4-1-10-5-7-15-8-6-10/h1-9,16,18H/b4-1+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM16509
PNG
((2S)-1-[(2S,3S)-3-methyl-2-{[(2S,3S)-3-(propylcarb...)
Show SMILES CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H29N3O6/c1-4-8-19-15(22)13-14(27-13)16(23)20-12(10(3)5-2)17(24)21-9-6-7-11(21)18(25)26/h10-14H,4-9H2,1-3H3,(H,19,22)(H,20,23)(H,25,26)/t10-,11-,12-,13-,14-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110187
PNG
(1-(2,4-Dihydroxyphenyl)-3-(pyridin-3-yl)propenone ...)
Show SMILES Oc1ccc(C(=O)\C=C\c2cccnc2)c(O)c1
Show InChI InChI=1S/C14H11NO3/c16-11-4-5-12(14(18)8-11)13(17)6-3-10-2-1-7-15-9-10/h1-9,16,18H/b6-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110193
PNG
(1-(3,5-Dihydroxyphenyl)-3-(thiophen-2-yl)propenone...)
Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1cccs1
Show InChI InChI=1S/C13H10O3S/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-8,14-15H/b4-3+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110194
PNG
(1-(3,5-Dihydroxyphenyl)-3-(furan-2-yl)propenone (2...)
Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccco1
Show InChI InChI=1S/C13H10O4/c14-10-6-9(7-11(15)8-10)13(16)4-3-12-2-1-5-17-12/h1-8,14-15H/b4-3+
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Ewha Womans University, Seoul 120-750, Republic of Korea.



Assay Description
Inhibition of m-calpain was assayed in the reaction buffer (50 mM Tris-HCl, 100 mM NaCl, 5 mM β-mercaptoethanol, and 1 mM EDTA, pH 7.5) with 50 ...


Citation and Details
More data for this
Ligand-Target Pair
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