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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'Calpain 2' AND taxid = 9823   
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 2


(Sus scrofa)
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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41n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
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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68n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
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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70n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
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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77n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
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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209n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
BDBM50326302
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)
Show SMILES CCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C27H43N5O5/c1-5-22(24(33)26(35)28-12-9-13-32-16-14-31(4)15-17-32)29-25(34)23(18-20(2)3)30-27(36)37-19-21-10-7-6-8-11-21/h6-8,10-11,20,22-23H,5,9,12-19H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)/t22?,23-/m0/s1
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286n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
BDBM50326301
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-amino-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCn1ccc(N)nc1=O
Show InChI InChI=1S/C31H38N6O6/c1-21(2)18-25(35-31(42)43-20-23-12-7-4-8-13-23)28(39)34-24(19-22-10-5-3-6-11-22)27(38)29(40)33-15-9-16-37-17-14-26(32)36-30(37)41/h3-8,10-14,17,21,24-25H,9,15-16,18-20H2,1-2H3,(H,33,40)(H,34,39)(H,35,42)(H2,32,36,41)/t24?,25-/m0/s1
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438n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
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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844n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
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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1.14E+3n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
BDBM50326305
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(2-(dimethyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCN(C)C
Show InChI InChI=1S/C28H38N4O5/c1-20(2)17-24(31-28(36)37-19-22-13-9-6-10-14-22)26(34)30-23(18-21-11-7-5-8-12-21)25(33)27(35)29-15-16-32(3)4/h5-14,20,23-24H,15-19H2,1-4H3,(H,29,35)(H,30,34)(H,31,36)/t23?,24-/m0/s1
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3.52E+3n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
BDBM50326307
PNG
(3-(Benzyloxycarbonyl-L-leucylamino)-N-(3-(4-methyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C32H45N5O5/c1-24(2)21-28(35-32(41)42-23-26-13-8-5-9-14-26)30(39)34-27(22-25-11-6-4-7-12-25)29(38)31(40)33-15-10-16-37-19-17-36(3)18-20-37/h4-9,11-14,24,27-28H,10,15-23H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)/t27?,28-/m0/s1
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6.36E+3n/an/an/an/an/an/an/an/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney calpain 2


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


(Sus scrofa)
BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of calpain 1


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


(Sus scrofa)
BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of Calpain 2


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


(Sus scrofa)
BDBM50189833
PNG
((S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3...)
Show SMILES CCCCNC(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C22H34FN3O5S/c1-6-7-12-24-22(29)20(27)18(13-14(2)3)25-21(28)19(15(4)5)26-32(30,31)17-10-8-16(23)9-11-17/h8-11,14-15,18-19,26H,6-7,12-13H2,1-5H3,(H,24,29)(H,25,28)/t18-,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
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 49n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50263559
PNG
(((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-...)
Show SMILES COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


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


(Sus scrofa)
BDBM50263560
PNG
(2-methoxyethyl (S)-1-((S)-4-(cyclopropylamino)-3,4...)
Show SMILES COCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C23H33N3O6/c1-15(2)13-19(26-23(30)32-12-11-31-3)21(28)25-18(14-16-7-5-4-6-8-16)20(27)22(29)24-17-9-10-17/h4-8,15,17-19H,9-14H2,1-3H3,(H,24,29)(H,25,28)(H,26,30)/t18-,19-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


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


(Sus scrofa)
BDBM50263561
PNG
(2-(2-(2-methoxyethoxy)ethoxy)ethyl (S)-1-((S)-4-(c...)
Show SMILES COCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C27H41N3O8/c1-19(2)17-23(30-27(34)38-16-15-37-14-13-36-12-11-35-3)25(32)29-22(18-20-7-5-4-6-8-20)24(31)26(33)28-21-9-10-21/h4-8,19,21-23H,9-18H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t22-,23-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


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


(Sus scrofa)
BDBM50189825
PNG
((2S)-2-((((4-cyanophenyl)amino)thioxomethyl)amino)...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(cc1)C#N)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H24N4O3S/c1-11(2)9-15(16(23)21-14-7-8-25-17(14)24)22-18(26)20-13-5-3-12(10-19)4-6-13/h3-6,11,14-15,17,24H,7-9H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189834
PNG
((2S)-2-((((3-cyanophenyl)amino)thioxomethyl)amino)...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(c1)C#N)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H24N4O3S/c1-11(2)8-15(16(23)21-14-6-7-25-17(14)24)22-18(26)20-13-5-3-4-12(9-13)10-19/h3-5,9,11,14-15,17,24H,6-8H2,1-2H3,(H,21,23)(H2,20,22,26)/t14-,15-,17?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189832
PNG
((2S)-4-methyl-2-((((4-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(C)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-13-6-4-12(3)5-7-13/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50263613
PNG
(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethyl (S)-1...)
Show SMILES COCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C29H45N3O9/c1-21(2)19-25(32-29(36)41-18-17-40-16-15-39-14-13-38-12-11-37-3)27(34)31-24(20-22-7-5-4-6-8-22)26(33)28(35)30-23-9-10-23/h4-8,21,23-25H,9-20H2,1-3H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


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


(Sus scrofa)
BDBM50189828
PNG
(1-((S)-1-((3S)-2-hydroxy-tetrahydrofuran-3-ylamino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-11(2)10-14(15(21)19-13-8-9-23-16(13)22)20-17(24)18-12-6-4-3-5-7-12/h3-7,11,13-14,16,22H,8-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t13-,14-,16?/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189835
PNG
((2S)-2-((((4-fluorophenyl)amino)thioxomethyl)amino...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H24FN3O3S/c1-10(2)9-14(15(22)20-13-7-8-24-16(13)23)21-17(25)19-12-5-3-11(18)4-6-12/h3-6,10,13-14,16,23H,7-9H2,1-2H3,(H,20,22)(H2,19,21,25)/t13-,14-,16?/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50263558
PNG
(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)e...)
Show SMILES COCCOCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C31H49N3O10/c1-23(2)21-27(34-31(38)44-20-19-43-18-17-42-16-15-41-14-13-40-12-11-39-3)29(36)33-26(22-24-7-5-4-6-8-24)28(35)30(37)32-25-9-10-25/h4-8,23,25-27H,9-22H2,1-3H3,(H,32,37)(H,33,36)(H,34,38)/t26-,27-/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
Inhibition of pig kidney m-calpain


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


(Sus scrofa)
BDBM50189827
PNG
((2S)-2-((((4-methoxyphenyl)amino)thioxomethyl)amin...)
Show SMILES COc1ccc(NC(=S)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1
Show InChI InChI=1S/C18H27N3O4S/c1-11(2)10-15(16(22)20-14-8-9-25-17(14)23)21-18(26)19-12-4-6-13(24-3)7-5-12/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,26)/t14-,15-,17?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189822
PNG
((2S)-2-((benzylamino)thioxomethyl)amino)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=S)NCc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-12(2)10-15(16(22)20-14-8-9-24-17(14)23)21-18(25)19-11-13-6-4-3-5-7-13/h3-7,12,14-15,17,23H,8-11H2,1-2H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189830
PNG
((2S)-4-methyl-2-((((2-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1ccccc1C)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)10-15(16(22)19-14-8-9-24-17(14)23)21-18(25)20-13-7-5-4-6-12(13)3/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,19,22)(H2,20,21,25)/t14-,15-,17?/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189831
PNG
((2S)-4-methyl-2-((((3-methylphenyl)amino)thioxomet...)
Show SMILES CC(C)C[C@H](NC(=S)Nc1cccc(C)c1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C18H27N3O3S/c1-11(2)9-15(16(22)20-14-7-8-24-17(14)23)21-18(25)19-13-6-4-5-12(3)10-13/h4-6,10-11,14-15,17,23H,7-9H2,1-3H3,(H,20,22)(H2,19,21,25)/t14-,15-,17?/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189823
PNG
((2S,3S)-3-methyl-2-(((phenylamino)thioxomethyl)ami...)
Show SMILES CC[C@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C17H25N3O3S/c1-3-11(2)14(15(21)19-13-9-10-23-16(13)22)20-17(24)18-12-7-5-4-6-8-12/h4-8,11,13-14,16,22H,3,9-10H2,1-2H3,(H,19,21)(H2,18,20,24)/t11-,13-,14-,16?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189829
PNG
((2S)-3-methyl-2-(((phenylamino)thioxomethyl)amino)...)
Show SMILES CC(C)[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C16H23N3O3S/c1-10(2)13(14(20)18-12-8-9-22-15(12)21)19-16(23)17-11-6-4-3-5-7-11/h3-7,10,12-13,15,21H,8-9H2,1-2H3,(H,18,20)(H2,17,19,23)/t12-,13-,15?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189826
PNG
((S)-2-(4-fluorophenylsulfonamido)-N-((3S)-2-hydrox...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCOC1O
Show InChI InChI=1S/C15H21FN2O5S/c1-9(2)13(14(19)17-12-7-8-23-15(12)20)18-24(21,22)11-5-3-10(16)4-6-11/h3-6,9,12-13,15,18,20H,7-8H2,1-2H3,(H,17,19)/t12-,13-,15?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


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


(Sus scrofa)
BDBM50189824
PNG
(CHEMBL206737 | N-(1-cyano-3-methylbutyl)-2-((4-flu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C#N
Show InChI InChI=1S/C17H24FN3O3S/c1-11(2)9-14(10-19)20-17(22)16(12(3)4)21-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,21H,9H2,1-4H3,(H,20,22)/t14-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Senju Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of porcein kidney m calpain


Citation and Details
More data for this
Ligand-Target Pair