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3 similar compounds to monomer 50053795

Wt: 626.7
BDBM50053846
Wt: 465.5
BDBM50053853
Wt: 557.6
BDBM50053861

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50053846,50053853,50053861   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053846
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)
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PubMed
0.0740n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cysteine protease Calpain 2


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053861
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-4-26(30(38)33(41)34-21-28(37)23-14-8-5-9-15-23)35-31(39)27(20-22(2)3)36-32(40)29(24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26-29,37H,4,20-21H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)
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0.170n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053861
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-4-26(30(38)33(41)34-21-28(37)23-14-8-5-9-15-23)35-31(39)27(20-22(2)3)36-32(40)29(24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26-29,37H,4,20-21H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)
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0.200n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cysteine protease Calpain 2


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50053853
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-5-21(24(31)27(34)28-6-2)29-25(32)22(17-18(3)4)30-26(33)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,34)(H,29,32)(H,30,33)
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0.550n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin B


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053861
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1
Show InChI InChI=1S/C33H39N3O5/c1-4-26(30(38)33(41)34-21-28(37)23-14-8-5-9-15-23)35-31(39)27(20-22(2)3)36-32(40)29(24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,26-29,37H,4,20-21H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)
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0.75n/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))
BDBM50053846
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)
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0.760n/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
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50053853
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-5-21(24(31)27(34)28-6-2)29-25(32)22(17-18(3)4)30-26(33)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,34)(H,29,32)(H,30,33)
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1.20n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cysteine protease Calpain 2


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens)
BDBM50053846
PNG
(2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...)
Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)
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3.80n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


J Med Chem 39: 4089-98 (1996)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50053853
PNG
(3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-...)
Show SMILES CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H35N3O4/c1-5-21(24(31)27(34)28-6-2)29-25(32)22(17-18(3)4)30-26(33)23(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23H,5-6,17H2,1-4H3,(H,28,34)(H,29,32)(H,30,33)
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5n/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