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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM40658'   
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))
BDBM40658
PNG
(2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl...)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc1C
Show InChI InChI=1S/C20H24N2O2/c1-15-5-10-19(13-16(15)2)24-14-20(23)21-17-6-8-18(9-7-17)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
PDB
MMDB

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PC cid
PC sid
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PCBioAssay
n/an/a 8.57E+3n/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))
BDBM40658
PNG
(2-(3,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl...)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc1C
Show InChI InChI=1S/C20H24N2O2/c1-15-5-10-19(13-16(15)2)24-14-20(23)21-17-6-8-18(9-7-17)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.48E+4n/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