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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 = 'BDBM50302862'   
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))		BDBM50302862
PNG
(CHEMBL566603 | N-((2S,3R)-4-((R)-3-(3-tert-butylph...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CCC(NO)=NC1)c1cccc(c1)C(C)(C)C |r,c:24|
Show InChI InChI=1S/C27H36F2N4O3/c1-17(34)32-23(12-18-10-21(28)14-22(29)11-18)24(35)15-31-27(9-8-25(33-36)30-16-27)20-7-5-6-19(13-20)26(2,3)4/h5-7,10-11,13-14,23-24,31,35-36H,8-9,12,15-16H2,1-4H3,(H,30,33)(H,32,34)/t23-,24+,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.80n/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