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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50298195'   
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


(Bos taurus)		BDBM50298195
PNG
(CHEMBL564448 | methyl 5-(((2S,3S,5R)-2-amino-6-(bu...)
Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CN(C(C)C)C(=O)c1ccc(OC)c(CCNC(=O)OC)c1 |r|
Show InChI InChI=1S/C26H44N4O6/c1-7-8-12-28-24(32)18(4)14-22(31)21(27)16-30(17(2)3)25(33)20-9-10-23(35-5)19(15-20)11-13-29-26(34)36-6/h9-10,15,17-18,21-22,31H,7-8,11-14,16,27H2,1-6H3,(H,28,32)(H,29,34)/t18-,21+,22+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nagasaki International University

Curated by ChEMBL


Assay Description
Inhibition of bovine cathepsin D

Bioorg Med Chem Lett 19: 4863-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.128
BindingDB Entry DOI: 10.7270/Q2F18ZRG
More data for this
Ligand-Target Pair