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SMILES: COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)c(Cl)c1F

InChI Key: InChIKey=ORQCMGPTGLLMAF-APBUJDDRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102968   
Target/Host
(Institution)		LigandTarget/Host
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 1


(Homo sapiens (Human))		BDBM102968
PNG
(US8541427, 39 racemic)
Show SMILES COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)c(Cl)c1F |r,c:19|
Show InChI InChI=1S/C19H18ClF3N6O2/c1-8-13(22)15(31-3)26-18(25-8)29-6-10-16(30)28(2)17(24)27-19(10,7-29)9-4-5-11(21)12(20)14(9)23/h4-5,10H,6-7H2,1-3H3,(H2,24,27)/t10-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
US Patent
 9.20 -11.1 40n/an/an/an/an/a30



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monit...

US Patent US8541427 (2013)


BindingDB Entry DOI: 10.7270/Q26D5RN4
More data for this
Ligand-Target Pair