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Articleid 50030019

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Cathepsin B


(Homo sapiens (Human))
BDBM50290289
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoyl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C20H37N3O5/c1-7-8-9-15(20(27)28)22-19(26)17(11-13(4)5)23-18(25)16(10-12(2)3)21-14(6)24/h12-13,15-17H,7-11H2,1-6H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t15-,16-,17-/m0/s1
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MCE
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PC sid
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Article
1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of the compound for the inhibition of human cathepsin B was determined


Bioorg Med Chem Lett 7: 2507-2512 (1997)


Article DOI: 10.1016/S0960-894X(97)10004-X
BindingDB Entry DOI: 10.7270/Q28K793P
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50290289
PNG
((S)-2-[(S)-2-((S)-2-Acetylamino-4-methyl-pentanoyl...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C20H37N3O5/c1-7-8-9-15(20(27)28)22-19(26)17(11-13(4)5)23-18(25)16(10-12(2)3)21-14(6)24/h12-13,15-17H,7-11H2,1-6H3,(H,21,24)(H,22,26)(H,23,25)(H,27,28)/t15-,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant of the compound for the inhibition of human Mu-calpain was determined


Bioorg Med Chem Lett 7: 2507-2512 (1997)


Article DOI: 10.1016/S0960-894X(97)10004-X
BindingDB Entry DOI: 10.7270/Q28K793P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%