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Compile Data Set for Download or QSAR

Found 809 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
Calpain1/2


(Homo sapiens (Human))
BDBM50053822
PNG
(CHEMBL132586 | {3-Methyl-1-[1-(pyridin-2-ylmethyl)...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1
Show InChI InChI=1S/C26H34N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-22H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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0.0190n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053806
PNG
(CHEMBL129831 | {1-[1-(2-Hydroxy-2-pentafluoropheny...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C27H30F5N3O6/c1-4-15(24(37)26(39)33-11-17(36)18-19(28)21(30)23(32)22(31)20(18)29)34-25(38)16(10-13(2)3)35-27(40)41-12-14-8-6-5-7-9-14/h5-9,13,15-17,36H,4,10-12H2,1-3H3,(H,33,39)(H,34,38)(H,35,40)
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0.0500n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(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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0.0520n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053799
PNG
(CHEMBL134092 | [1-(1-{2-Hydroxy-2-[3-(3-trifluorom...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C34H38F3N3O7/c1-4-27(39-31(43)28(16-21(2)3)40-33(45)46-20-22-10-6-5-7-11-22)30(42)32(44)38-19-29(41)23-12-8-14-25(17-23)47-26-15-9-13-24(18-26)34(35,36)37/h5-15,17-18,21,27-29,41H,4,16,19-20H2,1-3H3,(H,38,44)(H,39,43)(H,40,45)
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0.0700n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053824
PNG
((1-{1-[2-(4-Benzyloxy-phenyl)-2-hydroxy-ethylamino...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H41N3O7/c1-4-28(36-32(40)29(19-23(2)3)37-34(42)44-22-25-13-9-6-10-14-25)31(39)33(41)35-20-30(38)26-15-17-27(18-16-26)43-21-24-11-7-5-8-12-24/h5-18,23,28-30,38H,4,19-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,42)
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0.0800n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053857
PNG
((1-{1-[2-Hydroxy-2-(4-phenoxy-phenyl)-ethylaminoox...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C33H39N3O7/c1-4-27(35-31(39)28(19-22(2)3)36-33(41)42-21-23-11-7-5-8-12-23)30(38)32(40)34-20-29(37)24-15-17-26(18-16-24)43-25-13-9-6-10-14-25/h5-18,22,27-29,37H,4,19-21H2,1-3H3,(H,34,40)(H,35,39)(H,36,41)
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0.100n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053817
PNG
((1-{1-[2-(3-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccc(OC)c1
Show InChI InChI=1S/C28H37N3O6/c1-5-23(25(32)27(34)29-15-14-20-12-9-13-22(17-20)36-4)30-26(33)24(16-19(2)3)31-28(35)37-18-21-10-7-6-8-11-21/h6-13,17,19,23-24H,5,14-16,18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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0.110n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053793
PNG
((1-{1-Benzyl-2-oxo-2-[(quinolin-2-ylmethyl)-carbam...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C34H36N4O5/c1-23(2)19-30(38-34(42)43-22-25-13-7-4-8-14-25)32(40)37-29(20-24-11-5-3-6-12-24)31(39)33(41)35-21-27-18-17-26-15-9-10-16-28(26)36-27/h3-18,23,29-30H,19-22H2,1-2H3,(H,35,41)(H,37,40)(H,38,42)
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0.110n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053868
PNG
(CHEMBL335291 | {1-[1-Benzyl-2-(3-morpholin-4-yl-pr...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C31H42N4O6/c1-23(2)20-27(34-31(39)41-22-25-12-7-4-8-13-25)29(37)33-26(21-24-10-5-3-6-11-24)28(36)30(38)32-14-9-15-35-16-18-40-19-17-35/h3-8,10-13,23,26-27H,9,14-22H2,1-2H3,(H,32,38)(H,33,37)(H,34,39)
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0.120n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053833
PNG
(CHEMBL132987 | {1-[1-(2-Hydroxy-2-naphthalen-1-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-16-10-14-22-13-8-9-15-23(22)24)33-29(37)26(17-20(2)3)34-31(39)40-19-21-11-6-5-7-12-21/h5-16,20,25-27,35H,4,17-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.120n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053838
PNG
((1-{1-[2-(4-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1
Show InChI InChI=1S/C28H37N3O6/c1-5-23(25(32)27(34)29-16-15-20-11-13-22(36-4)14-12-20)30-26(33)24(17-19(2)3)31-28(35)37-18-21-9-7-6-8-10-21/h6-14,19,23-24H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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0.120n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053802
PNG
(CHEMBL133970 | {3-Methyl-1-[1-(quinolin-2-ylmethyl...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1
Show InChI InChI=1S/C29H34N4O5/c1-4-23(26(34)28(36)30-17-22-15-14-21-12-8-9-13-24(21)31-22)32-27(35)25(16-19(2)3)33-29(37)38-18-20-10-6-5-7-11-20/h5-15,19,23,25H,4,16-18H2,1-3H3,(H,30,36)(H,32,35)(H,33,37)
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0.130n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053840
PNG
((1-{1-[2-(2-Methoxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC
Show InChI InChI=1S/C28H37N3O6/c1-5-22(25(32)27(34)29-16-15-21-13-9-10-14-24(21)36-4)30-26(33)23(17-19(2)3)31-28(35)37-18-20-11-7-6-8-12-20/h6-14,19,22-23H,5,15-18H2,1-4H3,(H,29,34)(H,30,33)(H,31,35)
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0.130n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053849
PNG
(CHEMBL134002 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)
Show SMILES CCC(NC(=O)C(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)
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0.140n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053863
PNG
((3-Methyl-1-{1-[2-(1-methyl-1H-pyrrol-2-yl)-ethyla...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccn1C
Show InChI InChI=1S/C26H36N4O5/c1-5-21(23(31)25(33)27-14-13-20-12-9-15-30(20)4)28-24(32)22(16-18(2)3)29-26(34)35-17-19-10-7-6-8-11-19/h6-12,15,18,21-22H,5,13-14,16-17H2,1-4H3,(H,27,33)(H,28,32)(H,29,34)
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0.160n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053834
PNG
(CHEMBL413308 | [1-(1-Benzyl-2-{2-hydroxy-2-[3-(3-t...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C39H40F3N3O7/c1-25(2)19-33(45-38(50)51-24-27-13-7-4-8-14-27)36(48)44-32(20-26-11-5-3-6-12-26)35(47)37(49)43-23-34(46)28-15-9-17-30(21-28)52-31-18-10-16-29(22-31)39(40,41)42/h3-18,21-22,25,32-34,46H,19-20,23-24H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)
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0.180n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(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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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053805
PNG
((1-{1-Benzyl-2-[2-(4-benzyloxy-phenyl)-2-hydroxy-e...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C39H43N3O7/c1-27(2)22-34(42-39(47)49-26-30-16-10-5-11-17-30)37(45)41-33(23-28-12-6-3-7-13-28)36(44)38(46)40-24-35(43)31-18-20-32(21-19-31)48-25-29-14-8-4-9-15-29/h3-21,27,33-35,43H,22-26H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)
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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053801
PNG
((1-{1-Benzyl-2-[2-hydroxy-2-(4-phenoxy-phenyl)-eth...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C38H41N3O7/c1-26(2)22-33(41-38(46)47-25-28-14-8-4-9-15-28)36(44)40-32(23-27-12-6-3-7-13-27)35(43)37(45)39-24-34(42)29-18-20-31(21-19-29)48-30-16-10-5-11-17-30/h3-21,26,32-34,42H,22-25H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)
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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053808
PNG
(CHEMBL130345 | {1-[1-(2,2-Diethoxy-ethylaminooxaly...)
Show SMILES CCOC(CNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)OCC
Show InChI InChI=1S/C25H39N3O7/c1-6-19(22(29)24(31)26-15-21(33-7-2)34-8-3)27-23(30)20(14-17(4)5)28-25(32)35-16-18-12-10-9-11-13-18/h9-13,17,19-21H,6-8,14-16H2,1-5H3,(H,26,31)(H,27,30)(H,28,32)
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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(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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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(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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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053791
PNG
(CHEMBL132566 | [1-(1-Benzyl-2-oxo-2-{2-[5-((3aR,6S...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1S/C36H48N6O7S/c1-23(2)19-27(41-36(48)49-21-25-13-7-4-8-14-25)33(45)39-26(20-24-11-5-3-6-12-24)32(44)34(46)38-18-17-37-30(43)16-10-9-15-29-31-28(22-50-29)40-35(47)42-31/h3-8,11-14,23,26-29,31H,9-10,15-22H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,41,48)(H2,40,42,47)/t26?,27?,28-,29-,31-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053813
PNG
((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-1H-i...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1
Show InChI InChI=1S/C36H46N4O5/c1-26(2)22-32(39-36(44)45-25-28-14-7-4-8-15-28)34(42)38-31(23-27-12-5-3-6-13-27)33(41)35(43)37-19-11-20-40-21-18-29-16-9-10-17-30(29)24-40/h3-10,12-17,26,29-32H,11,18-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)
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0.220n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053825
PNG
((1-{1-[2-(3,4-Bis-benzyloxy-phenyl)-2-hydroxy-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C41H47N3O8/c1-4-33(43-39(47)34(22-28(2)3)44-41(49)52-27-31-18-12-7-13-19-31)38(46)40(48)42-24-35(45)32-20-21-36(50-25-29-14-8-5-9-15-29)37(23-32)51-26-30-16-10-6-11-17-30/h5-21,23,28,33-35,45H,4,22,24-27H2,1-3H3,(H,42,48)(H,43,47)(H,44,49)
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0.230n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053830
PNG
((1-{1-[2-Hydroxy-2-(4-methoxy-phenyl)-ethylaminoox...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H37N3O7/c1-5-22(25(33)27(35)29-16-24(32)20-11-13-21(37-4)14-12-20)30-26(34)23(15-18(2)3)31-28(36)38-17-19-9-7-6-8-10-19/h6-14,18,22-24,32H,5,15-17H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)
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0.240n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053858
PNG
(CHEMBL336649 | {3-Methyl-1-[1-(3-morpholin-4-yl-pr...)
Show SMILES CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C27H42N4O6/c1-4-9-22(24(32)26(34)28-12-8-13-31-14-16-36-17-15-31)29-25(33)23(18-20(2)3)30-27(35)37-19-21-10-6-5-7-11-21/h5-7,10-11,20,22-23H,4,8-9,12-19H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)
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0.25n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(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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0.25n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053832
PNG
(CHEMBL422260 | {1-[1-(Isoquinolin-1-ylmethyl)-amin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc12
Show InChI InChI=1S/C29H34N4O5/c1-4-23(26(34)28(36)31-17-25-22-13-9-8-12-21(22)14-15-30-25)32-27(35)24(16-19(2)3)33-29(37)38-18-20-10-6-5-7-11-20/h5-15,19,23-24H,4,16-18H2,1-3H3,(H,31,36)(H,32,35)(H,33,37)
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0.25n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053860
PNG
(CHEMBL131639 | [1-(1-{2-[3-(3,4-Dichloro-phenoxy)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C33H37Cl2N3O7/c1-4-27(37-31(41)28(15-20(2)3)38-33(43)44-19-21-9-6-5-7-10-21)30(40)32(42)36-18-29(39)22-11-8-12-23(16-22)45-24-13-14-25(34)26(35)17-24/h5-14,16-17,20,27-29,39H,4,15,18-19H2,1-3H3,(H,36,42)(H,37,41)(H,38,43)
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0.270n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053814
PNG
(CHEMBL131866 | [3-Methyl-1-(1-methylaminooxalyl-pr...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC
Show InChI InChI=1S/C20H29N3O5/c1-5-15(17(24)19(26)21-4)22-18(25)16(11-13(2)3)23-20(27)28-12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)
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0.280n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053821
PNG
(CHEMBL133634 | {1-[1-(3-Imidazol-1-yl-propylaminoo...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C25H35N5O5/c1-4-20(22(31)24(33)27-11-8-13-30-14-12-26-17-30)28-23(32)21(15-18(2)3)29-25(34)35-16-19-9-6-5-7-10-19/h5-7,9-10,12,14,17-18,20-21H,4,8,11,13,15-16H2,1-3H3,(H,27,33)(H,28,32)(H,29,34)
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0.290n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053827
PNG
(3-[4-Methyl-2-(2-naphthalen-1-yl-acetylamino)-pent...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C25H33N3O4/c1-5-20(23(30)25(32)26-6-2)28-24(31)21(14-16(3)4)27-22(29)15-18-12-9-11-17-10-7-8-13-19(17)18/h7-13,16,20-21H,5-6,14-15H2,1-4H3,(H,26,32)(H,27,29)(H,28,31)
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0.300n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053847
PNG
((1-{1-[2-(1H-Indol-3-yl)-ethylaminooxalyl]-propylc...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H36N4O5/c1-4-23(26(34)28(36)30-15-14-21-17-31-24-13-9-8-12-22(21)24)32-27(35)25(16-19(2)3)33-29(37)38-18-20-10-6-5-7-11-20/h5-13,17,19,23,25,31H,4,14-16,18H2,1-3H3,(H,30,36)(H,32,35)(H,33,37)
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0.300n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053865
PNG
((3-Methyl-1-{1-[3-(3,4,4a,8a-tetrahydro-1H-isoquin...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCC2C=CC=CC2C1
Show InChI InChI=1S/C31H44N4O5/c1-4-26(28(36)30(38)32-16-10-17-35-18-15-24-13-8-9-14-25(24)20-35)33-29(37)27(19-22(2)3)34-31(39)40-21-23-11-6-5-7-12-23/h5-9,11-14,22,24-27H,4,10,15-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.310n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053820
PNG
((1-{1-[2-(4-Dimethylamino-phenyl)-2-hydroxy-ethyla...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H40N4O6/c1-6-23(26(35)28(37)30-17-25(34)21-12-14-22(15-13-21)33(4)5)31-27(36)24(16-19(2)3)32-29(38)39-18-20-10-8-7-9-11-20/h7-15,19,23-25,34H,6,16-18H2,1-5H3,(H,30,37)(H,31,36)(H,32,38)
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0.330n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053804
PNG
(CHEMBL131319 | {3-Methyl-1-[1-(tetrahydro-furan-2-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1CCCO1
Show InChI InChI=1S/C24H35N3O6/c1-4-19(21(28)23(30)25-14-18-11-8-12-32-18)26-22(29)20(13-16(2)3)27-24(31)33-15-17-9-6-5-7-10-17/h5-7,9-10,16,18-20H,4,8,11-15H2,1-3H3,(H,25,30)(H,26,29)(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053867
PNG
(CHEMBL133749 | [1-(1-Benzyl-2-methylcarbamoyl-2-ox...)
Show SMILES CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C25H31N3O5/c1-17(2)14-21(28-25(32)33-16-19-12-8-5-9-13-19)23(30)27-20(22(29)24(31)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)
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0.350n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50042419
PNG
(CHEMBL116477 | [1-(1-Benzyl-2-oxo-2-propylcarbamoy...)
Show SMILES CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H35N3O5/c1-4-15-28-26(33)24(31)22(17-20-11-7-5-8-12-20)29-25(32)23(16-19(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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0.350n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053823
PNG
(CHEMBL130580 | Isoquinoline-1-carboxylic acid [1-(...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1nccc2ccccc12
Show InChI InChI=1S/C23H30N4O4/c1-5-17(20(28)23(31)24-6-2)26-21(29)18(13-14(3)4)27-22(30)19-16-10-8-7-9-15(16)11-12-25-19/h7-12,14,17-18H,5-6,13H2,1-4H3,(H,24,31)(H,26,29)(H,27,30)
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0.350n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053798
PNG
(CHEMBL421910 | {1-[1-(2-Hydroxy-2-naphthalen-2-yl-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-15-14-22-12-8-9-13-23(22)17-24)33-29(37)26(16-20(2)3)34-31(39)40-19-21-10-6-5-7-11-21/h5-15,17,20,25-27,35H,4,16,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.350n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053818
PNG
((1-{1-[2-Hydroxy-2-(3-trifluoromethyl-phenyl)-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H34F3N3O6/c1-4-21(24(36)26(38)32-15-23(35)19-11-8-12-20(14-19)28(29,30)31)33-25(37)22(13-17(2)3)34-27(39)40-16-18-9-6-5-7-10-18/h5-12,14,17,21-23,35H,4,13,15-16H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.350n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053851
PNG
((3-Methyl-1-{1-[3-(3,4,4a,8a-tetrahydro-2H-quinoli...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12
Show InChI InChI=1S/C31H44N4O5/c1-4-25(28(36)30(38)32-17-11-19-35-18-10-15-24-14-8-9-16-27(24)35)33-29(37)26(20-22(2)3)34-31(39)40-21-23-12-6-5-7-13-23/h5-9,12-14,16,22,24-27H,4,10-11,15,17-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
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0.370n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053800
PNG
((1-{1-Benzyl-2-oxo-2-[3-(3,4,4a,8a-tetrahydro-2H-q...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCCC2C=CC=CC12
Show InChI InChI=1S/C36H46N4O5/c1-26(2)23-31(39-36(44)45-25-28-15-7-4-8-16-28)34(42)38-30(24-27-13-5-3-6-14-27)33(41)35(43)37-20-12-22-40-21-11-18-29-17-9-10-19-32(29)40/h3-10,13-17,19,26,29-32H,11-12,18,20-25H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)
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0.380n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053835
PNG
((1-{1-[2-Hydroxy-2-(3,4,5-trimethoxy-phenyl)-ethyl...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C30H41N3O9/c1-7-21(32-28(36)22(13-18(2)3)33-30(38)42-17-19-11-9-8-10-12-19)26(35)29(37)31-16-23(34)20-14-24(39-4)27(41-6)25(15-20)40-5/h8-12,14-15,18,21-23,34H,7,13,16-17H2,1-6H3,(H,31,37)(H,32,36)(H,33,38)
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0.380n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053854
PNG
((1-{1-[2-(4-Hydroxy-phenyl)-ethylaminooxalyl]-prop...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C27H35N3O6/c1-4-22(24(32)26(34)28-15-14-19-10-12-21(31)13-11-19)29-25(33)23(16-18(2)3)30-27(35)36-17-20-8-6-5-7-9-20/h5-13,18,22-23,31H,4,14-17H2,1-3H3,(H,28,34)(H,29,33)(H,30,35)
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0.380n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053797
PNG
(CHEMBL132839 | {3-Methyl-1-[1-(2-pyridin-2-yl-ethy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C26H34N4O5/c1-4-21(23(31)25(33)28-15-13-20-12-8-9-14-27-20)29-24(32)22(16-18(2)3)30-26(34)35-17-19-10-6-5-7-11-19/h5-12,14,18,21-22H,4,13,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
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0.410n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053856
PNG
(CHEMBL131781 | {1-[1-(5-Hydroxy-1,3,3-trimethyl-cy...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1
Show InChI InChI=1S/C29H45N3O6/c1-7-22(24(34)26(36)30-18-29(6)15-21(33)14-28(4,5)17-29)31-25(35)23(13-19(2)3)32-27(37)38-16-20-11-9-8-10-12-20/h8-12,19,21-23,33H,7,13-18H2,1-6H3,(H,30,36)(H,31,35)(H,32,37)
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0.420n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053826
PNG
((1-{1-Benzyl-2-[2-hydroxy-2-(3-trifluoromethyl-phe...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C33H36F3N3O6/c1-21(2)16-27(39-32(44)45-20-23-12-7-4-8-13-23)30(42)38-26(17-22-10-5-3-6-11-22)29(41)31(43)37-19-28(40)24-14-9-15-25(18-24)33(34,35)36/h3-15,18,21,26-28,40H,16-17,19-20H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)
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0.460n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053836
PNG
((1-{1-Benzyl-2-[2-(3,4-bis-benzyloxy-phenyl)-2-hyd...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C46H49N3O8/c1-32(2)25-39(49-46(54)57-31-36-21-13-6-14-22-36)44(52)48-38(26-33-15-7-3-8-16-33)43(51)45(53)47-28-40(50)37-23-24-41(55-29-34-17-9-4-10-18-34)42(27-37)56-30-35-19-11-5-12-20-35/h3-24,27,32,38-40,50H,25-26,28-31H2,1-2H3,(H,47,53)(H,48,52)(H,49,54)
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0.480n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of the cysteine protease human Calpain 1


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
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