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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM19604'   
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
Procathepsin L


(Homo sapiens (Human))
BDBM19604
PNG
((2S)-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl...)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)CN1CCc2cc(F)ccc12 |r|
Show InChI InChI=1S/C28H38FN3O5S/c1-28(2,3)17-24(31-26(33)20-7-6-8-23(16-20)37-4)27(34)30-22(12-14-38(5,35)36)18-32-13-11-19-15-21(29)9-10-25(19)32/h6-10,15-16,22,24H,11-14,17-18H2,1-5H3,(H,30,34)(H,31,33)/t22-,24-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



GNF



Assay Description
The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo...


Bioorg Med Chem Lett 16: 1486-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.056
BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ
More data for this
Ligand-Target Pair