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Compile Data Set for Download or QSAR

Found 33 hits of ic50 data for polymerid = 5910   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 |r|
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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University of Canterbury

Curated by ChEMBL


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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1501-1504 (1995)


Article DOI: 10.1016/0960-894X(95)00236-M
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 |r|
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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University of Canterbury

Curated by ChEMBL


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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1501-1504 (1995)


Article DOI: 10.1016/0960-894X(95)00236-M
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

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1501-1504 (1995)


Article DOI: 10.1016/0960-894X(95)00236-M
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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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 |r|
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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University of Canterbury

Curated by ChEMBL


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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 (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

Curated by ChEMBL


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


Bioorg Med Chem Lett 5: 1501-1504 (1995)


Article DOI: 10.1016/0960-894X(95)00236-M
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 |r|
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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University of Canterbury

Curated by ChEMBL


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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 |r|
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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University of Canterbury

Curated by ChEMBL


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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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/a7.525



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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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 |r|
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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University of Canterbury

Curated by ChEMBL


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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 |r|
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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University of Canterbury

Curated by ChEMBL


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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 |r|
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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 |r|
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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 |r|
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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 |r|
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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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/a7.525



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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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 |r|
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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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 |r|
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


J Med Chem 54: 7503-22 (2011)


Article DOI: 10.1021/jm200471r
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/a7.525



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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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/a7.525



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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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/a7.525



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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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 [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r|
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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110197
PNG
(1-(3,5-Dihydroxyphenyl)-3-(furan-3-yl)propenone (2...)
Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccoc1
Show InChI InChI=1S/C13H10O4/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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110195
PNG
(1-(3,5-Dihydroxyphenyl)-3-phenylpropenone (22))
Show SMILES Oc1cc(O)cc(c1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C15H12O3/c16-13-8-12(9-14(17)10-13)15(18)7-6-11-4-2-1-3-5-11/h1-10,16-17H/b7-6+
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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM110192
PNG
(3-(2,4-Dihydroxyphenyl)-1-(furan-2-yl)propenone (1...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccco2)c(O)c1
Show InChI InChI=1S/C13H10O4/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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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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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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
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 ...


Bioorg Chem 51: 24-30 (2013)


Article DOI: 10.1016/j.bioorg.2013.09.002
More data for this
Ligand-Target Pair