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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM19590'   
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))
BDBM19590
PNG
((2S)-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-meth...)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2ccccc12 |r|
Show InChI InChI=1S/C24H31N3O2/c1-17(2)15-21(26-23(28)20-9-6-7-18(3)16-20)24(29)25-12-14-27-13-11-19-8-4-5-10-22(19)27/h4-10,16-17,21H,11-15H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
88n/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