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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM50545175'   
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 2


(Homo sapiens (Human))		BDBM50545175
PNG
(CHEMBL4643511)
Show SMILES NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
Show InChI InChI=1S/C18H16F5N5O2/c19-8-17(3-4-18(22,23)16(24)28-17)11-5-10(1-2-12(11)21)27-15(29)13-6-26-14(7-25-13)30-9-20/h1-2,5-7H,3-4,8-9H2,(H2,24,28)(H,27,29)/t17-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Janssen Research & Development

Curated by ChEMBL


Assay Description
Inhibition of BACE2 (unknown origin)

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.126999
BindingDB Entry DOI: 10.7270/Q2W95DRH
More data for this
Ligand-Target Pair