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BDBM50053861 3-(2-Diphenylacetylamino-4-methyl-pentanoylamino)-2-oxo-pentanoic acid (2-hydroxy-2-phenyl-ethyl)-amide::CHEMBL132526

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1

InChI Key: InChIKey=MRMDMJWTKTVMPI-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 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
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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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
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)
PDB
MMDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair