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Compile Data Set for Download or QSAR

Found 849 hits Enz. Inhib. hit(s) with Target = 'Calpain1/2'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain1/2


(Homo sapiens (Human))
BDBM50142284
PNG
(2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-...)
Show SMILES CCCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C1Cc2cc3OCCOc3cc2S(=O)(=O)N1CC
Show InChI InChI=1S/C27H33N3O7S/c1-3-5-11-28-27(33)25(31)20(14-18-9-7-6-8-10-18)29-26(32)21-15-19-16-22-23(37-13-12-36-22)17-24(19)38(34,35)30(21)4-2/h6-10,16-17,20-21H,3-5,11-15H2,1-2H3,(H,28,33)(H,29,32)/t20-,21?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity tested against human calpain 1 in Molt-4 cells (intact human T-cell leukemia cell line)


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291219
PNG
(CHEMBL151521 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C=O
Show InChI InChI=1S/C20H30N2O4/c1-14(2)11-16(12-23)21-18(24)17(20(3,4)5)22-19(25)26-13-15-9-7-6-8-10-15/h6-10,12,14,16-17H,11,13H2,1-5H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291234
PNG
(CHEMBL150600 | [(S)-1-((S)-1-Formyl-2-methyl-propy...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C(C)C
Show InChI InChI=1S/C19H28N2O4/c1-13(2)10-16(18(23)20-17(11-22)14(3)4)21-19(24)25-12-15-8-6-5-7-9-15/h5-9,11,13-14,16-17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291225
PNG
(CHEMBL357595 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C23H35N3O5/c1-15(2)11-19(13-27)25-22(29)20(12-16(3)4)26-21(28)17(5)24-23(30)31-14-18-9-7-6-8-10-18/h6-10,13,15-17,19-20H,11-12,14H2,1-5H3,(H,24,30)(H,25,29)(H,26,28)/t17-,19+,20+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105236
PNG
(6-Chloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)
Show SMILES CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C19H19ClN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50142302
PNG
(6-Chloro-2-ethyl-1,1-dioxo-1,2,3,4-tetrahydro-1lam...)
Show SMILES CCN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H21ClN2O4S/c1-2-23-18(12-15-11-16(21)8-9-19(15)28(23,26)27)20(25)22-17(13-24)10-14-6-4-3-5-7-14/h3-9,11,13,17-18H,2,10,12H2,1H3,(H,22,25)/t17-,18?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human calpain I; Not determined


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50084655
PNG
(CHEMBL92708 | Z-Leu-Nle-CHO | [(S)-1-((S)-1-Formyl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291188
PNG
(((S)-1-{(R)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C29H46N4O6/c1-18(2)13-23(16-34)31-27(36)24(14-19(3)4)33-28(37)25(15-20(5)6)32-26(35)21(7)30-29(38)39-17-22-11-9-8-10-12-22/h8-12,16,18-21,23-25H,13-15,17H2,1-7H3,(H,30,38)(H,31,36)(H,32,35)(H,33,37)/t21-,23-,24-,25+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50101321
PNG
(CHEMBL299750 | [(S)-1-((S)-1-Benzyl-2-benzyloxycar...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1
Show InChI InChI=1S/C31H35N3O6/c1-22(2)18-27(33-31(38)39-20-24-14-8-4-9-15-24)29(36)32-26(19-23-12-6-3-7-13-23)28(35)30(37)34-40-21-25-16-10-5-11-17-25/h3-17,22,26-27H,18-21H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)/t26-,27-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Calpain 1


Bioorg Med Chem Lett 11: 2615-7 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105229
PNG
(2-Methyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1l...)
Show SMILES CN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C21H20N2O6S/c1-23-17(21(25)22-16(13-24)9-14-5-3-2-4-6-14)10-15-11-18-19(29-8-7-28-18)12-20(15)30(23,26)27/h2-6,10-13,16H,7-9H2,1H3,(H,22,25)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291222
PNG
(CHEMBL423222 | {(S)-1-[(S)-1-(4-Benzyloxy-benzyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O
Show InChI InChI=1S/C30H34N2O5/c1-22(2)17-28(32-30(35)37-21-25-11-7-4-8-12-25)29(34)31-26(19-33)18-23-13-15-27(16-14-23)36-20-24-9-5-3-6-10-24/h3-16,19,22,26,28H,17-18,20-21H2,1-2H3,(H,31,34)(H,32,35)/t26-,28-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105231
PNG
((3S) 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-d...)
Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C22H24N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,23,26)/t17-,18?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50066991
PNG
((R)-2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyl...)
Show SMILES CC(C)C[C@@H](NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H30N2O5/c1-13(2)10-16(18(23)21-17(19(24)25)11-14(3)4)22-20(26)27-12-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t16?,17-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
inhibitory activity measured against recombinant human Calpain-I receptor


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50142283
PNG
(1,1-Dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[e][1...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1Cc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C18H18N2O4S/c21-12-15(10-13-6-2-1-3-7-13)19-18(22)16-11-14-8-4-5-9-17(14)25(23,24)20-16/h1-9,12,15-16,20H,10-11H2,(H,19,22)/t15-,16?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105241
PNG
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro...)
Show SMILES CN1C(Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C19H18Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8,10-11,14,17H,7,9H2,1H3,(H,22,25)/t14-,17?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105231
PNG
((3S) 2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-d...)
Show SMILES CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C22H24N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,23,26)/t17-,18?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50124010
PNG
(2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-me...)
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+/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Senju Pharmaceutical Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine mu-calpain.


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291228
PNG
(CHEMBL347742 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C=O
Show InChI InChI=1S/C20H29N3O6/c1-13(2)9-16(11-24)21-19(25)18(10-14(3)4)22-20(26)29-12-15-5-7-17(8-6-15)23(27)28/h5-8,11,13-14,16,18H,9-10,12H2,1-4H3,(H,21,25)(H,22,26)/t16-,18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291236
PNG
(CHEMBL356841 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C20H30N2O4/c1-14(2)10-17(12-23)21-19(24)18(11-15(3)4)22-20(25)26-13-16-8-6-5-7-9-16/h5-9,12,14-15,17-18H,10-11,13H2,1-4H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105244
PNG
(2-Ethyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1la...)
Show SMILES CCN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C22H22N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,11-14,17H,2,8-10H2,1H3,(H,23,26)/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291192
PNG
(CHEMBL345337 | [(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C29H39N3O6/c1-19(2)14-23(17-33)30-27(35)25(15-20(3)4)31-28(36)26(16-21-10-12-24(34)13-11-21)32-29(37)38-18-22-8-6-5-7-9-22/h5-13,17,19-20,23,25-26,34H,14-16,18H2,1-4H3,(H,30,35)(H,31,36)(H,32,37)/t23-,25-,26+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105244
PNG
(2-Ethyl-1,1-dioxo-1,2,6,7-tetrahydro-5,8-dioxa-1la...)
Show SMILES CCN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C22H22N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,11-14,17H,2,8-10H2,1H3,(H,23,26)/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291223
PNG
(CHEMBL150134 | Naphthalene-2-carboxylic acid {(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1)C=O
Show InChI InChI=1S/C29H41N3O4/c1-18(2)13-24(17-33)30-28(35)25(14-19(3)4)32-29(36)26(15-20(5)6)31-27(34)23-12-11-21-9-7-8-10-22(21)16-23/h7-12,16-20,24-26H,13-15H2,1-6H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25-,26+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291194
PNG
((S)-2-Methanesulfonylamino-4-methyl-pentanoic acid...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NS(C)(=O)=O)C=O
Show InChI InChI=1S/C13H26N2O4S/c1-9(2)6-11(8-16)14-13(17)12(7-10(3)4)15-20(5,18)19/h8-12,15H,6-7H2,1-5H3,(H,14,17)/t11-,12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50124017
PNG
(CHEMBL168909 | N-(1-Formyl-3-methyl-butyl)-3-methy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C=O
Show InChI InChI=1S/C21H28N2O4S/c1-14(2)11-18(13-24)22-21(25)20(15(3)4)23-28(26,27)19-10-9-16-7-5-6-8-17(16)12-19/h5-10,12-15,18,20,23H,11H2,1-4H3,(H,22,25)/t18-,20+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Senju Pharmaceutical Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine mu-calpain.


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50137397
PNG
(CHEMBL341014 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H28N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50104576
PNG
(CHEMBL89668 | [(S)-1-((S)-1-Benzyl-2-methoxycarbam...)
Show SMILES CONC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O6/c1-17(2)14-21(27-25(32)34-16-19-12-8-5-9-13-19)23(30)26-20(22(29)24(31)28-33-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/t20-,21-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Calpain 1


Bioorg Med Chem Lett 11: 2615-7 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291218
PNG
(CHEMBL2371036 | [(S)-1-(1-Formyl-propylcarbamoyl)-...)
Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C18H26N2O4/c1-4-15(11-21)19-17(22)16(10-13(2)3)20-18(23)24-12-14-8-6-5-7-9-14/h5-9,11,13,15-16H,4,10,12H2,1-3H3,(H,19,22)(H,20,23)/t15-,16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50142287
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-phenyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against recombinant human calpain I


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291226
PNG
(CHEMBL151829 | [(S)-1-((S)-1-Cyclohexylmethyl-2-ox...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C=O
Show InChI InChI=1S/C23H34N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h4,7-8,11-12,15,17-18,20-21H,3,5-6,9-10,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50142287
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-phenyl...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105230
PNG
(CHEMBL117639 | N-(1-Benzyl-2-oxo-ethyl)-3-benzylox...)
Show SMILES CS(=O)(=O)NC(COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19?/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calpain-I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291187
PNG
(CHEMBL151370 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C29H39N3O5/c1-20(2)15-24(18-33)30-27(34)25(16-21(3)4)31-28(35)26(17-22-11-7-5-8-12-22)32-29(36)37-19-23-13-9-6-10-14-23/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t24-,25-,26+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291197
PNG
(CHEMBL149754 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc12)C=O
Show InChI InChI=1S/C27H34N2O4/c1-17(2)13-19(15-30)28-26(31)25(14-18(3)4)29-27(32)33-16-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,15,17-19,24-25H,13-14,16H2,1-4H3,(H,28,31)(H,29,32)/t19-,25-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50065407
PNG
((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...)
Show SMILES CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 8: 2647-52 (1999)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
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
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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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291177
PNG
((S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-(...)
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-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50104586
PNG
(CHEMBL316418 | [(R)-1-((S)-1-Benzyl-2-benzyloxycar...)
Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1
Show InChI InChI=1S/C30H33N3O6/c1-21(2)26(32-30(37)38-19-23-14-8-4-9-15-23)28(35)31-25(18-22-12-6-3-7-13-22)27(34)29(36)33-39-20-24-16-10-5-11-17-24/h3-17,21,25-26H,18-20H2,1-2H3,(H,31,35)(H,32,37)(H,33,36)/t25-,26+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Calpain 1


Bioorg Med Chem Lett 11: 2615-7 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291205
PNG
(CHEMBL358404 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C=O
Show InChI InChI=1S/C14H26N2O4/c1-9(2)6-11(8-17)15-13(18)12(7-10(3)4)16-14(19)20-5/h8-12H,6-7H2,1-5H3,(H,15,18)(H,16,19)/t11-,12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291181
PNG
(CHEMBL150976 | {(S)-2-tert-Butoxy-1-[(R)-1-((R)-1-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C27H43N3O6/c1-18(2)13-21(15-31)28-24(32)22(14-19(3)4)29-25(33)23(17-36-27(5,6)7)30-26(34)35-16-20-11-9-8-10-12-20/h8-12,15,18-19,21-23H,13-14,16-17H2,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t21-,22-,23+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50124024
PNG
(2-(4-Chloro-benzenesulfonylamino)-N-[1-formyl-2-(1...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O
Show InChI InChI=1S/C22H24ClN3O4S/c1-14(2)21(26-31(29,30)18-9-7-16(23)8-10-18)22(28)25-17(13-27)11-15-12-24-20-6-4-3-5-19(15)20/h3-10,12-14,17,21,24,26H,11H2,1-2H3,(H,25,28)/t17-,21+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Senju Pharmaceutical Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine mu-calpain.


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50071828
PNG
(Benzenesulfonic acid (3R,5S)-1-benzenesulfonyl-5-(...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H26N2O7S2/c29-19-21(16-20-10-4-1-5-11-20)27-26(30)25-17-22(35-37(33,34)24-14-8-3-9-15-24)18-28(25)36(31,32)23-12-6-2-7-13-23/h1-15,19,21-22,25H,16-18H2,(H,27,30)/t21-,22+,25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 8: 2647-52 (1999)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50071825
PNG
((R)-1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxyli...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](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+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against recombinant human Calpain 1


Bioorg Med Chem Lett 8: 2647-52 (1999)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50124012
PNG
(2-(4-Chloro-benzenesulfonylamino)-N-(1-formyl-2-ph...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H23ClN2O4S/c1-14(2)19(23-28(26,27)18-10-8-16(21)9-11-18)20(25)22-17(13-24)12-15-6-4-3-5-7-15/h3-11,13-14,17,19,23H,12H2,1-2H3,(H,22,25)/t17-,19+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Senju Pharmaceutical Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine mu-calpain.


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50124022
PNG
(CHEMBL169307 | N-(1-Formyl-2-phenyl-ethyl)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C24H26N2O4S/c1-17(2)23(24(28)25-21(16-27)14-18-8-4-3-5-9-18)26-31(29,30)22-13-12-19-10-6-7-11-20(19)15-22/h3-13,15-17,21,23,26H,14H2,1-2H3,(H,25,28)/t21-,23+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Senju Pharmaceutical Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine mu-calpain.


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291224
PNG
(CHEMBL424142 | {(S)-1-[(S)-1-Formyl-2-(3H-imidazol...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C=O
Show InChI InChI=1S/C20H26N4O4/c1-14(2)8-18(24-20(27)28-12-15-6-4-3-5-7-15)19(26)23-17(11-25)9-16-10-21-13-22-16/h3-7,10-11,13-14,17-18H,8-9,12H2,1-2H3,(H,21,22)(H,23,26)(H,24,27)/t17-,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291176
PNG
((S)-2-Acetylamino-4-methyl-pentanoic acid [(R)-1-(...)
Show SMILES CC(C)C[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/c1-12(2)8-16(11-24)22-19(26)18(10-14(5)6)23-20(27)17(9-13(3)4)21-15(7)25/h11-14,16-18H,8-10H2,1-7H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17+,18-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105236
PNG
(6-Chloro-2-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1la...)
Show SMILES CN1C(Cc2cc(Cl)ccc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C19H19ClN2O4S/c1-22-17(11-14-10-15(20)7-8-18(14)27(22,25)26)19(24)21-16(12-23)9-13-5-3-2-4-6-13/h2-8,10,12,16-17H,9,11H2,1H3,(H,21,24)/t16-,17?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50105249
PNG
(6,7-Dichloro-2-methyl-1,1-dioxo-1,2-dihydro-1lambd...)
Show SMILES CN1C(=Cc2cc(Cl)c(Cl)cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C19H16Cl2N2O4S/c1-23-17(9-13-8-15(20)16(21)10-18(13)28(23,26)27)19(25)22-14(11-24)7-12-5-3-2-4-6-12/h2-6,8-11,14H,7H2,1H3,(H,22,25)/t14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity towards human calpain I


J Med Chem 44: 3488-503 (2001)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50291207
PNG
(3-[(S)-1-((S)-1-Formyl-3-methyl-butylcarbamoyl)-3-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C1Cc2ccccc2CN1C(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C30H39N3O5/c1-20(2)14-25(18-34)31-28(35)26(15-21(3)4)32-29(36)27-16-23-12-8-9-13-24(23)17-33(27)30(37)38-19-22-10-6-5-7-11-22/h5-13,18,20-21,25-27H,14-17,19H2,1-4H3,(H,31,35)(H,32,36)/t25-,26-,27?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Citation and Details
More data for this
Ligand-Target Pair
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