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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM47291'   
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))
BDBM47291
PNG
(3-hydroxy-N-[(5Z)-4-keto-5-(2-ketoindolin-3-yliden...)
Show SMILES Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H11N3O4S2/c22-10-5-3-4-9(8-10)15(23)20-21-17(25)14(27-18(21)26)13-11-6-1-2-7-12(11)19-16(13)24/h1-8,22H,(H,19,24)(H,20,23)/b14-13-
PDB
MMDB

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PCBioAssay
n/an/a 3.18E+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