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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM33517'   
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))
BDBM33517
PNG
(2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-1,3,4-oxadiazo...)
Show SMILES CN(C)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C14H18N4O2S/c1-18(2)12(19)9-21-14-17-16-13(20-14)11(15)8-10-6-4-3-5-7-10/h3-7,11H,8-9,15H2,1-2H3/t11-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 172n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27D2SJC
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM33517
PNG
(2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-1,3,4-oxadiazo...)
Show SMILES CN(C)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C14H18N4O2S/c1-18(2)12(19)9-21-14-17-16-13(20-14)11(15)8-10-6-4-3-5-7-10/h3-7,11H,8-9,15H2,1-2H3/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 205n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair