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Compile Data Set for Download or QSAR

Found 164 hits Enz. Inhib. hit(s) with Target = 'Calpain 1'   
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-1


(Sus scrofa (pig))
BDBM23865
PNG
(3-[(2S)-2-[1-(9H-fluoren-9-yl)acetamido]-4-methylp...)
Show SMILES CC(C)C[C@H](NC(=O)CC1c2ccccc2-c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
Show InChI InChI=1S/C31H32N2O5/c1-19(2)16-27(30(36)33-26(29(35)31(37)38)17-20-10-4-3-5-11-20)32-28(34)18-25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h3-15,19,25-27H,16-18H2,1-2H3,(H,32,34)(H,33,36)(H,37,38)/t26?,27-/m0/s1
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8 -45.7n/an/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...


J Med Chem 51: 4346-50 (2008)


Article DOI: 10.1021/jm800182c
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042397
PNG
(3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C24H28N2O6/c1-16(2)13-20(26-24(31)32-15-18-11-7-4-8-12-18)22(28)25-19(21(27)23(29)30)14-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)
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8.5n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
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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10 -45.2n/an/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...


J Med Chem 51: 4346-50 (2008)


Article DOI: 10.1021/jm800182c
More data for this
Ligand-Target Pair
Calpain 1/2


(Gallus gallus)
BDBM50073850
PNG
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r|
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)/t19?,20-/m0/s1
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10n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken gizzard smooth muscle calpain


Bioorg Med Chem Lett 9: 139-40 (1999)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193489
PNG
((R)-1-(4-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-5-2-1-3-6-15)21-20(25)19-7-4-12-22(19)30(28,29)18-10-8-17(9-11-18)23(26)27/h1-3,5-6,8-11,14,16,19H,4,7,12-13H2,(H,21,25)/t16?,19-/m1/s1
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20n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50326300
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)nc(OC)nc12 |r|
Show InChI InChI=1S/C28H38N8O6/c1-5-19(32-25(38)20(14-17(2)3)33-28(40)42-15-18-10-7-6-8-11-18)22(37)26(39)30-12-9-13-36-16-31-21-23(29)34-27(41-4)35-24(21)36/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H,30,39)(H,32,38)(H,33,40)(H2,29,34,35)/t19?,20-/m0/s1
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23n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193501
PNG
((R)-1-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...)
Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21IN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1
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33n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193494
PNG
((R)-1-(4-methoxyphenylsulfonyl)-N-((R,S)-1-oxo-3-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1
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37n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM23859
PNG
(3-[(2S)-2-[1-(adamantan-1-yl)acetamido]-4-methylpe...)
Show SMILES CC(C)C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r,TLB:16:11:18:15.14.17,16:15:11.12.10:18,THB:14:13:10:15.16.17,14:15:10:13.12.18|
Show InChI InChI=1S/C28H38N2O5/c1-17(2)8-23(26(33)30-22(25(32)27(34)35)12-18-6-4-3-5-7-18)29-24(31)16-28-13-19-9-20(14-28)11-21(10-19)15-28/h3-7,17,19-23H,8-16H2,1-2H3,(H,29,31)(H,30,33)(H,34,35)/t19?,20?,21?,22?,23-,28?/m0/s1
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41 -41.7n/an/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...


J Med Chem 51: 4346-50 (2008)


Article DOI: 10.1021/jm800182c
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50326298
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES COc1nc(N)c2ncn(CCCNC(=O)C(=O)C(Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)c2n1 |r|
Show InChI InChI=1S/C33H40N8O6/c1-21(2)17-25(38-33(45)47-19-23-13-8-5-9-14-23)30(43)37-24(18-22-11-6-4-7-12-22)27(42)31(44)35-15-10-16-41-20-36-26-28(34)39-32(46-3)40-29(26)41/h4-9,11-14,20-21,24-25H,10,15-19H2,1-3H3,(H,35,44)(H,37,43)(H,38,45)(H2,34,39,40)/t24?,25-/m0/s1
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41n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193509
PNG
((S)-3-(4-iodophenylsulfonyl)-N-((R,S)-1-oxo-3-phen...)
Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C19H19IN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1
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42n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM23857
PNG
(3-[(2S)-2-(3-cyclohexylpropanamido)-4-methylpentan...)
Show SMILES CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
Show InChI InChI=1S/C25H36N2O5/c1-17(2)15-21(26-22(28)14-13-18-9-5-3-6-10-18)24(30)27-20(23(29)25(31)32)16-19-11-7-4-8-12-19/h4,7-8,11-12,17-18,20-21H,3,5-6,9-10,13-16H2,1-2H3,(H,26,28)(H,27,30)(H,31,32)/t20?,21-/m0/s1
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50 -41.3n/an/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...


J Med Chem 51: 4346-50 (2008)


Article DOI: 10.1021/jm800182c
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042411
PNG
(CHEMBL331850 | [1-(1-Benzyl-2-oxo-2-phenethylcarba...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C32H37N3O5/c1-23(2)20-28(35-32(39)40-22-26-16-10-5-11-17-26)30(37)34-27(21-25-14-8-4-9-15-25)29(36)31(38)33-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,33,38)(H,34,37)(H,35,39)
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52n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50326303
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19?,20-/m0/s1
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53n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50326304
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(6-amino-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C32H38N8O5/c1-21(2)16-25(39-32(44)45-18-23-12-7-4-8-13-23)30(42)38-24(17-22-10-5-3-6-11-22)27(41)31(43)34-14-9-15-40-20-37-26-28(33)35-19-36-29(26)40/h3-8,10-13,19-21,24-25H,9,14-18H2,1-2H3,(H,34,43)(H,38,42)(H,39,44)(H2,33,35,36)/t24?,25-/m0/s1
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55n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM23863
PNG
(3-[(2S)-2-(3,3-diphenylpropanamido)-4-methylpentan...)
Show SMILES CC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
Show InChI InChI=1S/C31H34N2O5/c1-21(2)18-27(30(36)33-26(29(35)31(37)38)19-22-12-6-3-7-13-22)32-28(34)20-25(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25-27H,18-20H2,1-2H3,(H,32,34)(H,33,36)(H,37,38)/t26?,27-/m0/s1
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63 -40.7n/an/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...


J Med Chem 51: 4346-50 (2008)


Article DOI: 10.1021/jm800182c
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042398
PNG
(CHEMBL117840 | [1-(1-Aminooxalyl-butylcarbamoyl)-3...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C20H29N3O5/c1-4-8-15(17(24)18(21)25)22-19(26)16(11-13(2)3)23-20(27)28-12-14-9-6-5-7-10-14/h5-7,9-10,13,15-16H,4,8,11-12H2,1-3H3,(H2,21,25)(H,22,26)(H,23,27)
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69n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193503
PNG
((4S)-N-(1-oxo-3-phenylpropan-2-yl)-3-tosylthiazoli...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H22N2O4S2/c1-15-7-9-18(10-8-15)28(25,26)22-14-27-13-19(22)20(24)21-17(12-23)11-16-5-3-2-4-6-16/h2-10,12,17,19H,11,13-14H2,1H3,(H,21,24)/t17?,19-/m1/s1
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70n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193502
PNG
((S)-3-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C19H19BrN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1
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74n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042387
PNG
(3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(O)=O
Show InChI InChI=1S/C19H26N2O6/c1-4-14(16(22)18(24)25)20-17(23)15(10-12(2)3)21-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H,20,23)(H,21,26)(H,24,25)
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75n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50244952
PNG
((S)-2-ethyl-N-(1-oxo-3-phenylpropan-2-yl)-2-(3-phe...)
Show SMILES CCC(CC)(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C24H30N2O3/c1-3-24(4-2,26-22(28)16-15-19-11-7-5-8-12-19)23(29)25-21(18-27)17-20-13-9-6-10-14-20/h5-14,18,21H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,28)/t21-/m0/s1
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80n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of pig erythrocyte mu-calpain


Bioorg Med Chem Lett 18: 4806-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.094
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042396
PNG
(CHEMBL441280 | [1-(1-Benzyl-2-isobutylcarbamoyl-2-...)
Show SMILES CC(C)CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H37N3O5/c1-19(2)15-24(31-28(35)36-18-22-13-9-6-10-14-22)26(33)30-23(16-21-11-7-5-8-12-21)25(32)27(34)29-17-20(3)4/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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80n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193507
PNG
((2R)-N-(1-oxo-3-phenylpropan-2-yl)-1-tosylpyrrolid...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=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)/t18?,20-/m1/s1
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81n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193490
PNG
((S)-3-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C19H19ClN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1
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90n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042399
PNG
(CHEMBL116429 | [1-(1-Heptylaminooxalyl-propylcarba...)
Show SMILES CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H41N3O5/c1-5-7-8-9-13-16-27-25(32)23(30)21(6-2)28-24(31)22(17-19(3)4)29-26(33)34-18-20-14-11-10-12-15-20/h10-12,14-15,19,21-22H,5-9,13,16-18H2,1-4H3,(H,27,32)(H,28,31)(H,29,33)
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96n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042421
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H34N2O5/c1-5-21(24(30)27(33)34-6-2)28-25(31)22(17-18(3)4)29-26(32)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,31)(H,29,32)
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100n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM23861
PNG
(3-[(2S)-2-(1,1-diphenylacetamido)-4-methylpentanam...)
Show SMILES CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
Show InChI InChI=1S/C30H32N2O5/c1-20(2)18-25(28(34)31-24(27(33)30(36)37)19-21-12-6-3-7-13-21)32-29(35)26(22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24-26H,18-19H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)/t24?,25-/m0/s1
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108 -39.4n/an/an/an/an/a7.422



University of Tennessee Health Science Center



Assay Description
Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...


J Med Chem 51: 4346-50 (2008)


Article DOI: 10.1021/jm800182c
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193495
PNG
((S)-3-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CSC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C19H19FN2O4S2/c20-15-6-8-17(9-7-15)28(25,26)22-13-27-12-18(22)19(24)21-16(11-23)10-14-4-2-1-3-5-14/h1-9,11,16,18H,10,12-13H2,(H,21,24)/t16?,18-/m1/s1
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110n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042405
PNG
(CHEMBL331322 | [3-Methyl-1-(1-nonylaminooxalyl-pro...)
Show SMILES CCCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H45N3O5/c1-5-7-8-9-10-11-15-18-29-27(34)25(32)23(6-2)30-26(33)24(19-21(3)4)31-28(35)36-20-22-16-13-12-14-17-22/h12-14,16-17,21,23-24H,5-11,15,18-20H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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120n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193504
PNG
((R)-1-(4-bromophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21BrN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1
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128n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193497
PNG
((R)-1-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21ClN2O4S/c21-16-8-10-18(11-9-16)28(26,27)23-12-4-7-19(23)20(25)22-17(14-24)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,17,19H,4,7,12-13H2,(H,22,25)/t17?,19-/m1/s1
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141n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50084684
PNG
(CHEMBL333627 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)
Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C26H40N4O6/c1-4-21(23(31)25(33)27-11-8-12-30-13-15-35-16-14-30)28-24(32)22(17-19(2)3)29-26(34)36-18-20-9-6-5-7-10-20/h5-7,9-10,19,21-22H,4,8,11-18H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)/t21-,22-/m0/s1
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150n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042425
PNG
(CHEMBL326290 | {1-[1-(2,2-Diphenyl-ethylaminooxaly...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-4-28(35-31(38)29(20-23(2)3)36-33(40)41-22-24-14-8-5-9-15-24)30(37)32(39)34-21-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27-29H,4,20-22H2,1-3H3,(H,34,39)(H,35,38)(H,36,40)
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160n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50326299
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O |r|
Show InChI InChI=1S/C26H36N6O6/c1-4-19(22(33)24(35)28-12-8-13-32-14-11-21(27)31-25(32)36)29-23(34)20(15-17(2)3)30-26(37)38-16-18-9-6-5-7-10-18/h5-7,9-11,14,17,19-20H,4,8,12-13,15-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,37)(H2,27,31,36)/t19?,20-/m0/s1
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165n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50069792
PNG
((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r|
Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
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190n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of pig erythrocyte mu-calpain


Bioorg Med Chem Lett 18: 4806-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.094
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193506
PNG
((R)-1-(naphthalen-1-ylsulfonyl)-N-((R,S)-1-oxo-3-p...)
Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H24N2O4S/c27-17-20(16-18-8-2-1-3-9-18)25-24(28)22-13-7-15-26(22)31(29,30)23-14-6-11-19-10-4-5-12-21(19)23/h1-6,8-12,14,17,20,22H,7,13,15-16H2,(H,25,28)/t20?,22-/m1/s1
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191n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193493
PNG
((R)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)-1-(phenyls...)
Show SMILES O=CC(Cc1ccccc1)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N2O4S/c23-15-17(14-16-8-3-1-4-9-16)21-20(24)19-12-7-13-22(19)27(25,26)18-10-5-2-6-11-18/h1-6,8-11,15,17,19H,7,12-14H2,(H,21,24)/t17?,19-/m1/s1
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196n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042412
PNG
(CHEMBL420872 | [1-(1-Benzyl-2-ethylcarbamoyl-2-oxo...)
Show SMILES CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H33N3O5/c1-4-27-25(32)23(30)21(16-19-11-7-5-8-12-19)28-24(31)22(15-18(2)3)29-26(33)34-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)
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200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042415
PNG
(CHEMBL444594 | [1-(1-Butylaminooxalyl-propylcarbam...)
Show SMILES CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H35N3O5/c1-5-7-13-24-22(29)20(27)18(6-2)25-21(28)19(14-16(3)4)26-23(30)31-15-17-11-9-8-10-12-17/h8-12,16,18-19H,5-7,13-15H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)
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200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042395
PNG
(CHEMBL117336 | [3-Methyl-1-(1-phenethylaminooxalyl...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H35N3O5/c1-4-22(24(31)26(33)28-16-15-20-11-7-5-8-12-20)29-25(32)23(17-19(2)3)30-27(34)35-18-21-13-9-6-10-14-21/h5-14,19,22-23H,4,15-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042427
PNG
(CHEMBL118025 | [1-(1-Benzylaminooxalyl-propylcarba...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H33N3O5/c1-4-21(23(30)25(32)27-16-19-11-7-5-8-12-19)28-24(31)22(15-18(2)3)29-26(33)34-17-20-13-9-6-10-14-20/h5-14,18,21-22H,4,15-17H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)
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200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042404
PNG
(CHEMBL116894 | [1-(1-Ethylaminooxalyl-butylcarbamo...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC
Show InChI InChI=1S/C22H33N3O5/c1-5-10-17(19(26)21(28)23-6-2)24-20(27)18(13-15(3)4)25-22(29)30-14-16-11-8-7-9-12-16/h7-9,11-12,15,17-18H,5-6,10,13-14H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)
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210n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50326306
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(dimethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN(C)C |r|
Show InChI InChI=1S/C29H40N4O5/c1-21(2)18-25(32-29(37)38-20-23-14-9-6-10-15-23)27(35)31-24(19-22-12-7-5-8-13-22)26(34)28(36)30-16-11-17-33(3)4/h5-10,12-15,21,24-25H,11,16-20H2,1-4H3,(H,30,36)(H,31,35)(H,32,37)/t24?,25-/m0/s1
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226n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte calpain 1


J Med Chem 53: 6326-36 (2010)


Article DOI: 10.1021/jm901221v
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042386
PNG
(CHEMBL325147 | [1-(1-Ethylaminooxalyl-propylcarbam...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C21H31N3O5/c1-5-16(18(25)20(27)22-6-2)23-19(26)17(12-14(3)4)24-21(28)29-13-15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)
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250n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193505
PNG
((R)-1-(3-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21N3O6S/c24-14-16(12-15-6-2-1-3-7-15)21-20(25)19-10-5-11-22(19)30(28,29)18-9-4-8-17(13-18)23(26)27/h1-4,6-9,13-14,16,19H,5,10-12H2,(H,21,25)/t16?,19-/m1/s1
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256n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193500
PNG
((R)-N-(2(R,S)-3,4-dioxo-4-(phenethylamino)-1-pheny...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C29H30N4O7S/c34-27(29(36)30-18-17-21-8-3-1-4-9-21)25(20-22-10-5-2-6-11-22)31-28(35)26-12-7-19-32(26)41(39,40)24-15-13-23(14-16-24)33(37)38/h1-6,8-11,13-16,25-26H,7,12,17-20H2,(H,30,36)(H,31,35)/t25?,26-/m1/s1
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280n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042423
PNG
(CHEMBL325401 | [1-(1-Aminooxalyl-propylcarbamoyl)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
Show InChI InChI=1S/C19H27N3O5/c1-4-14(16(23)17(20)24)21-18(25)15(10-12(2)3)22-19(26)27-11-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)
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280n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193499
PNG
((R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropa...)
Show SMILES CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C18H26N2O4S/c1-2-3-12-25(23,24)20-11-7-10-17(20)18(22)19-16(14-21)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,2-3,7,10-13H2,1H3,(H,19,22)/t16?,17-/m1/s1
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313n/an/an/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of porcine erythrocyte mu calpain


J Med Chem 49: 5282-90 (2006)


Article DOI: 10.1021/jm050849w
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042432
PNG
(CHEMBL115701 | {3-Methyl-1-[1-(4-phenyl-butylamino...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C29H39N3O5/c1-4-24(26(33)28(35)30-18-12-11-15-22-13-7-5-8-14-22)31-27(34)25(19-21(2)3)32-29(36)37-20-23-16-9-6-10-17-23/h5-10,13-14,16-17,21,24-25H,4,11-12,15,18-20H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)
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320n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50042403
PNG
(CHEMBL325223 | [3-Methyl-1-(1-octylaminooxalyl-pro...)
Show SMILES CCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H43N3O5/c1-5-7-8-9-10-14-17-28-26(33)24(31)22(6-2)29-25(32)23(18-20(3)4)30-27(34)35-19-21-15-12-11-13-16-21/h11-13,15-16,20,22-23H,5-10,14,17-19H2,1-4H3,(H,28,33)(H,29,32)(H,30,34)
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320n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.


J Med Chem 36: 3472-80 (1993)

More data for this
Ligand-Target Pair
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