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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM59683'   
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))
BDBM59683
PNG
(MLS000093089 | N-(3,4-dimethylphenyl)-2-[(4-keto-1...)
Show SMILES Cc1ccc(NC(=O)CSc2nc3CCCc3c(=O)[nH]2)cc1C
Show InChI InChI=1S/C17H19N3O2S/c1-10-6-7-12(8-11(10)2)18-15(21)9-23-17-19-14-5-3-4-13(14)16(22)20-17/h6-8H,3-5,9H2,1-2H3,(H,18,21)(H,19,20,22)
PDB
MMDB

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PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair