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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 = 'BDBM50302872'   
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))		BDBM50302872
PNG
(CHEMBL565550 | N-((2S,3R)-4-((3R,6S)-3-(3-tert-but...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2cccnc2)NC1)c1cccc(c1)C(C)(C)C |r|
Show InChI InChI=1S/C32H41F2N5O2/c1-21(40)38-28(15-22-13-25(33)17-26(34)14-22)29(41)19-37-32(24-8-5-7-23(16-24)31(2,3)4)11-10-30(36-20-32)39-27-9-6-12-35-18-27/h5-9,12-14,16-18,28-30,36-37,39,41H,10-11,15,19-20H2,1-4H3,(H,38,40)/t28-,29+,30-,32-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 expressed in Escherichia coli after 3 hrs by oregon green based fluorescence polarization assay

Bioorg Med Chem Lett 19: 6386-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.061
BindingDB Entry DOI: 10.7270/Q23779NV
More data for this
Ligand-Target Pair