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SMILES: CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)Cc1cccc2ccccc12

InChI Key: InChIKey=XWPMWIRSEUHFET-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053827   
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 catalytic subunit


(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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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.25n/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
Calpain-1 catalytic subunit


(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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PC cid
PC sid
UniChem

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Article
PubMed
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)


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


(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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.350n/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)


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