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SMILES: Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1cccc(F)c1

InChI Key: InChIKey=BCDSIEWCDJJLIO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324910   
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))		BDBM50324910
PNG
(4-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(3...)
Show SMILES Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C18H18ClFN4O/c19-13-6-7-16-15(10-13)23-18(21)24(16)8-2-5-17(25)22-11-12-3-1-4-14(20)9-12/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,21,23)(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.49E+5n/an/an/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Inhibition of BACE1 assessed as amyloid beta secretion by cell based assay

Bioorg Med Chem Lett 20: 5329-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.089
BindingDB Entry DOI: 10.7270/Q2VQ32W7
More data for this
Ligand-Target Pair