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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50383841'   
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))
BDBM50383841
PNG
(CHEMBL2031000)
Show SMILES C[C@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1
Show InChI InChI=1S/C29H40FN3O3/c1-18-10-11-29(18)15-25(23-12-21(14-28(3,4)5)16-32-27(23)36-29)31-17-26(35)24(33-19(2)34)13-20-6-8-22(30)9-7-20/h6-9,12,16,18,24-26,31,35H,10-11,13-15,17H2,1-5H3,(H,33,34)/t18-,24-,25-,26+,29-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Envoy Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 22: 3607-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.060
BindingDB Entry DOI: 10.7270/Q2BP03TM
More data for this
Ligand-Target Pair