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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50210716'   
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))		BDBM50210716
PNG
(CHEMBL396010 | N1-((2S,3R)-4-(3-methoxybenzylamino...)
Show SMILES CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
Show InChI InChI=1S/C30H36N4O5/c1-3-12-33-29(37)23-15-22(28(31)36)16-24(17-23)30(38)34-26(14-20-8-5-4-6-9-20)27(35)19-32-18-21-10-7-11-25(13-21)39-2/h4-11,13,15-17,26-27,32,35H,3,12,14,18-19H2,1-2H3,(H2,31,36)(H,33,37)(H,34,38)/t26-,27+/m0/s1
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BACE1

Bioorg Med Chem Lett 17: 3378-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.096
BindingDB Entry DOI: 10.7270/Q2RB748S
More data for this
Ligand-Target Pair