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Found 73 hits Enz. Inhib. hit(s) with Target = 'Calpain-1'   
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-1


(Sus scrofa (pig))
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 35n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain


Bioorg Med Chem Lett 12: 1603-6 (2002)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25893
PNG
((2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)n1C)C(C)C)C=O
Show InChI InChI=1S/C18H27N3O4/c1-11(2)8-13(9-22)19-18(25)16(12(3)4)20-17(24)15-7-6-14(10-23)21(15)5/h6-7,9-13,16H,8H2,1-5H3,(H,19,25)(H,20,24)/t13-,16-/m0/s1
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n/an/a 150n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50114336
PNG
((S)-2-(4-Fluoro-benzenesulfonylamino)-N-{(S)-1-[(2...)
Show SMILES CC(C)C[C@@H](CNNCC=O)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C19H31FN4O4S/c1-13(2)11-16(12-22-21-9-10-25)23-19(26)18(14(3)4)24-29(27,28)17-7-5-15(20)6-8-17/h5-8,10,13-14,16,18,21-22,24H,9,11-12H2,1-4H3,(H,23,26)/t16-,18-/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
Tested for inhibitory activity against porcine erythrocyte Mu-calpain


Bioorg Med Chem Lett 12: 1603-6 (2002)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25891
PNG
((2S)-2-[(5-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)7-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-5-12(8-21)18-14/h5-6,8-11,13,15,18H,7H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
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n/an/a 290n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25895
PNG
(N-heterocyclic dipeptide aldehyde, 13 | methyl 5-{...)
Show SMILES COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C18H27N3O5/c1-10(2)8-12(9-22)19-17(24)15(11(3)4)21-16(23)13-6-7-14(20-13)18(25)26-5/h6-7,9-12,15,20H,8H2,1-5H3,(H,19,24)(H,21,23)/t12-,15-/m0/s1
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n/an/a 290n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25894
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H27N3O3/c1-10(2)8-13(9-21)19-17(23)15(11(3)4)20-16(22)14-7-6-12(5)18-14/h6-7,9-11,13,15,18H,8H2,1-5H3,(H,19,23)(H,20,22)/t13-,15-/m0/s1
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n/an/a 340n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
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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Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain


Bioorg Med Chem Lett 12: 1603-6 (2002)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25890
PNG
((2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)s1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O4S/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
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n/an/a 440n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25892
PNG
((2S)-2-[(4-formyl-1H-pyrrol-2-yl)formamido]-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(C)C)C=O
Show InChI InChI=1S/C17H25N3O4/c1-10(2)5-13(9-22)19-17(24)15(11(3)4)20-16(23)14-6-12(8-21)7-18-14/h6-11,13,15,18H,5H2,1-4H3,(H,19,24)(H,20,23)/t13-,15-/m0/s1
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n/an/a 530n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25888
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C)C=O
Show InChI InChI=1S/C16H25N3O3/c1-10(2)8-12(9-20)18-16(22)14(11(3)4)19-15(21)13-6-5-7-17-13/h5-7,9-12,14,17H,8H2,1-4H3,(H,18,22)(H,19,21)/t12-,14-/m0/s1
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n/an/a 650n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50114341
PNG
((2S)-N-((1S)-1-{(E)-[(aminocarbonyl)hydrazono]meth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NNC(N)=O
Show InChI InChI=1S/C18H28FN5O4S/c1-11(2)9-14(10-21-23-18(20)26)22-17(25)16(12(3)4)24-29(27,28)15-7-5-13(19)6-8-15/h5-8,10-12,14,16,24H,9H2,1-4H3,(H,22,25)(H3,20,23,26)/t14-,16-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain


Bioorg Med Chem Lett 12: 1603-6 (2002)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25887
PNG
((2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O3S/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
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n/an/a 680n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25886
PNG
((2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-me...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-12(9-19)17-16(21)14(11(3)4)18-15(20)13-6-5-7-22-13/h5-7,9-12,14H,8H2,1-4H3,(H,17,21)(H,18,20)/t12-,14-/m0/s1
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n/an/a 790n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50114337
PNG
((S)-2-(4-Fluoro-benzenesulfonylamino)-3-methyl-N-{...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NN1CCOCC1
Show InChI InChI=1S/C21H33FN4O4S/c1-15(2)13-18(14-23-26-9-11-30-12-10-26)24-21(27)20(16(3)4)25-31(28,29)19-7-5-17(22)6-8-19/h5-8,14-16,18,20,25H,9-13H2,1-4H3,(H,24,27)/t18-,20-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain


Bioorg Med Chem Lett 12: 1603-6 (2002)

More data for this
Ligand-Target Pair
Calpain-1


(Ovis aries (sheep))
BDBM25889
PNG
((2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C)C=O
Show InChI InChI=1S/C17H24N2O5/c1-10(2)7-12(8-20)18-17(23)15(11(3)4)19-16(22)14-6-5-13(9-21)24-14/h5-6,8-12,15H,7H2,1-4H3,(H,18,23)(H,19,22)/t12-,15-/m0/s1
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n/an/a 960n/an/an/an/a7.525



University of Canterbury



Assay Description
Calpain inhibition assays were performed in 96-well black plates. The reaction was initiated by the addition of substrate solution. The progress of t...


Bioorg Med Chem 16: 6911-23 (2008)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50114339
PNG
((S)-2-(4-Fluoro-benzenesulfonylamino)-3-methyl-N-{...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC=NN1CCOCC1
Show InChI InChI=1S/C17H25FN4O4S/c1-13(2)16(21-27(24,25)15-5-3-14(18)4-6-15)17(23)19-7-8-20-22-9-11-26-12-10-22/h3-6,8,13,16,21H,7,9-12H2,1-2H3,(H,19,23)/t16-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain


Bioorg Med Chem Lett 12: 1603-6 (2002)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50114338
PNG
((S)-N-{2-[(2-Dimethylamino-acetyl)-hydrazono]-ethy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCC=NNC(=O)CN(C)C
Show InChI InChI=1S/C17H26FN5O4S/c1-12(2)16(22-28(26,27)14-7-5-13(18)6-8-14)17(25)19-9-10-20-21-15(24)11-23(3)4/h5-8,10,12,16,22H,9,11H2,1-4H3,(H,19,25)(H,21,24)/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against porcine erythrocyte Mu-calpain


Bioorg Med Chem Lett 12: 1603-6 (2002)

More data for this
Ligand-Target Pair
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
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)

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)

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)

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
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)

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)

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)

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
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)

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
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)

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)

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
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)

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
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)

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
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)

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
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)

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)

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)

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
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)

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)

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)

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
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)

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)

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)

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)

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)

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
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)

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
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)

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)

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)

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
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)

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)

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)

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)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193496
PNG
((R)-1-(4-fluorophenylsulfonyl)-N-((R,S)-1-oxo-3-ph...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21FN2O4S/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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386n/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)

More data for this
Ligand-Target Pair
Calpain-1


(Sus scrofa (pig))
BDBM50193508
PNG
((R)-1-(2-nitrophenylsulfonyl)-N-((R,S)-1-oxo-3-phe...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21N3O6S/c24-14-16(13-15-7-2-1-3-8-15)21-20(25)18-10-6-12-22(18)30(28,29)19-11-5-4-9-17(19)23(26)27/h1-5,7-9,11,14,16,18H,6,10,12-13H2,(H,21,25)/t16?,18-/m1/s1
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424n/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)

More data for this
Ligand-Target Pair
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