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SMILES: COc1ccc(cc1OC)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1

InChI Key: InChIKey=PYKFZFKTVYQQKM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50516150   
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))		BDBM50516150
PNG
(CHEMBL4534367)
Show SMILES COc1ccc(cc1OC)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19|
Show InChI InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(14-19)17-12-13-20(29-2)21(15-17)30-3/h4-15H,1-3H3,(H2,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 119n/an/an/an/an/an/a



Nanjing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 (1 to 460 residues) expressed in baculovirus infected insect cells using Rh-EVNLDAEFK-quencher as substrate measured after ...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126772
More data for this
Ligand-Target Pair