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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 = 'BDBM230012'   
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))		BDBM230012
PNG
(US9556135, 179)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F |r,c:10|
Show InChI InChI=1S/C21H17F3N6O2S/c1-20(10-33(31,32)21(2,24)19(26)30-20)14-6-12(3-4-15(14)22)29-18-17-13(16(23)9-28-18)5-11(7-25)8-27-17/h3-6,8-9H,10H2,1-2H3,(H2,26,30)(H,28,29)/t20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...

US Patent US9556135 (2017)


BindingDB Entry DOI: 10.7270/Q2X0691F
More data for this
Ligand-Target Pair