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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50231940'   
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
Beta-secretase 1


(Homo sapiens (Human))		BDBM50231940
PNG
(CHEMBL252276 | N1-((2S,3R)-3-hydroxy-4-((S)-1-(iso...)
Show SMILES CC(C)NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(C)C
Show InChI InChI=1S/C36H49N5O6S/c1-23(2)33(36(45)38-24(3)4)37-22-32(42)31(18-26-14-10-8-11-15-26)40-35(44)29-19-28(20-30(21-29)41(6)48(7,46)47)34(43)39-25(5)27-16-12-9-13-17-27/h8-17,19-21,23-25,31-33,37,42H,18,22H2,1-7H3,(H,38,45)(H,39,43)(H,40,44)/t25-,31+,32-,33+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 564n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant memapsin 2

Bioorg Med Chem Lett 18: 1031-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.028
BindingDB Entry DOI: 10.7270/Q2513XZC
More data for this
Ligand-Target Pair