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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM372817'   
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
Cathepsin D


(Homo sapiens (Human))
BDBM372817
PNG
(6-((Z)-2-(3-((1R,5S,6S)-3-amino-5-methyl-1-(methyl...)
Show SMILES C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
Show InChI InChI=1S/C21H18F2N4O2S2/c1-20(18-9-21(18,31(2,28)29)30-19(25)27-20)14-7-12(3-5-15(14)22)8-16(23)17-6-4-13(10-24)11-26-17/h3-8,11,18H,9H2,1-2H3,(H2,25,27)/b16-8-/t18-,20+,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.04E+5n/an/an/an/an/an/a



University of Southampton



Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CatD is 0.05M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) i...


J Med Chem 49: 6652-5 (2006)


BindingDB Entry DOI: 10.7270/Q23J3G8K
More data for this
Ligand-Target Pair