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SMILES: CCC(CC)NC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl

InChI Key: InChIKey=DORPJRIPXVEUMX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50220310   
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))		BDBM50220310
PNG
(4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino...)
Show SMILES CCC(CC)NC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
Show InChI InChI=1S/C28H33ClN4O3S/c1-3-20(4-2)32-27(36)19-12-10-18(11-13-19)26-22(16-25(35)33-28(30)31-14-7-15-34)23(17-37-26)21-8-5-6-9-24(21)29/h5-6,8-13,17,20,34H,3-4,7,14-16H2,1-2H3,(H,32,36)(H3,30,31,33,35)
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MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 930n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay

Bioorg Med Chem Lett 17: 5353-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.010
BindingDB Entry DOI: 10.7270/Q2WQ03GF
More data for this
Ligand-Target Pair