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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50220309   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM50220309
PNG
(4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino...)
Show SMILES CCCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
Show InChI InChI=1S/C27H31ClN4O3S/c1-2-3-13-30-26(35)19-11-9-18(10-12-19)25-21(16-24(34)32-27(29)31-14-6-15-33)22(17-36-25)20-7-4-5-8-23(20)28/h4-5,7-12,17,33H,2-3,6,13-16H2,1H3,(H,30,35)(H3,29,31,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 280n/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