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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin L1' and Ligand = 'BDBM50002399'   
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))
BDBM50002399
PNG
(CHEMBL197958)
Show SMILES CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C=O
Show InChI InChI=1S/C27H29N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-11-19-9-4-6-12-23(19)25)27(32)29-22(17-31)16-21-15-20-10-5-7-13-24(20)28-21/h4-15,17-18,22,26,28,30H,3,16H2,1-2H3,(H,29,32)/t18?,22-,26-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.870n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Apparent inhibitory constant against human cathepsin L


J Med Chem 48: 6870-8 (2005)


Article DOI: 10.1021/jm0502079
BindingDB Entry DOI: 10.7270/Q2WM1CZC
More data for this
Ligand-Target Pair