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BDBM50398681 CHEMBL2178148

SMILES: CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccc1)c1ccc(s1)-c1ccc(F)c(c1)C#N

InChI Key: InChIKey=DWVJKKOFIHHAKC-YVAQONLENA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398681   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase (BACE)


(Homo sapiens (Human))
BDBM50398681
PNG
(CHEMBL2178148)
Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccc1)c1ccc(s1)-c1ccc(F)c(c1)C#N |r,c:3|
Show InChI InChI=1/C24H20FN5OS/c1-29-22(31)18-13-30(17-5-3-2-4-6-17)14-24(18,28-23(29)27)21-10-9-20(32-21)15-7-8-19(25)16(11-15)12-26/h2-11,18H,13-14H2,1H3,(H2,27,28)/t18-,24-/s2
PDB
MMDB

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antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BACE1


J Med Chem 55: 9331-45 (2012)

More data for this
Ligand-Target Pair