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SMILES: CC1(CCSC(N)=N1)c1cccc(N\C(=N\O)c2ncc(Cl)cc2Cl)c1

InChI Key: InChIKey=OYIYYCGXTSVTFD-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102916   
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))		BDBM102916
PNG
(US8541408, 26)
Show SMILES CC1(CCSC(N)=N1)c1cccc(N\C(=N\O)c2ncc(Cl)cc2Cl)c1 |c:6|
Show InChI InChI=1S/C19H24N6OS/c1-12-10-22-15(11-21-12)17(26)23-13-5-6-16(25(3)4)14(9-13)19(2)7-8-27-18(20)24-19/h5-6,9-11H,7-8H2,1-4H3,(H2,20,24)(H,23,26)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.85E+3n/an/an/an/a7.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
Inhibition assay using human BACE-1.

US Patent US8541408 (2013)


BindingDB Entry DOI: 10.7270/Q2KK99D8
More data for this
Ligand-Target Pair