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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L1' and Ligand = 'BDBM50121298'   
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 L1


(Homo sapiens (Human))
BDBM50121298
PNG
(2-[2-(2-Biphenyl-4-yl-acetylamino)-3-mercapto-prop...)
Show SMILES NC(=N)NCCCC(NC(=O)C(CS)NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C44H49N7O4S/c45-44(46)48-24-9-16-37(50-43(55)39(29-56)49-40(52)28-31-17-20-35(21-18-31)33-12-5-2-6-13-33)42(54)51-38(41(53)47-25-23-30-10-3-1-4-11-30)27-32-19-22-34-14-7-8-15-36(34)26-32/h1-8,10-15,17-22,26,37-39,56H,9,16,23-25,27-29H2,(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,45,46,48)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
160n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Inhibitory activity against human Cathepsin L


J Med Chem 45: 5321-9 (2002)


BindingDB Entry DOI: 10.7270/Q23B5ZH6
More data for this
Ligand-Target Pair