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BDBM50134793 CHEMBL3745974

SMILES: COc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1

InChI Key: InChIKey=QISXYXTUQWAAJT-QYRYXDJWNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134793   
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))
BDBM50134793
PNG
(CHEMBL3745974)
Show SMILES COc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1
Show InChI InChI=1/C30H32N4O5/c1-30(2,3)39-29(36)34-17-25(33-28-31-23-15-14-22(37-4)16-24(23)32-28)26(18-34)38-27(35)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-16,25-26H,17-18H2,1-4H3,(H2,31,32,33)/t25-,26-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Korea University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) by FRET assay


Bioorg Med Chem Lett 26: 51-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.033
BindingDB Entry DOI: 10.7270/Q2BC41CC
More data for this
Ligand-Target Pair