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BDBM50320676 CHEMBL1164239::N-(5-bromopyridin-2-yl)-4-(4-ethyl-2-(ethylthio)thiophen-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

SMILES: CCSc1scc(CC)c1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(Br)cn1

InChI Key: InChIKey=AZSJLQDDYMOPPW-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320676   
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))
BDBM50320676
PNG
(CHEMBL1164239 | N-(5-bromopyridin-2-yl)-4-(4-ethyl...)
Show SMILES CCSc1scc(CC)c1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(Br)cn1
Show InChI InChI=1/C26H30BrN3O2S2/c1-6-15-13-34-25(33-7-2)21(15)23-20(24(32)30-19-9-8-16(27)12-28-19)14(3)29-17-10-26(4,5)11-18(31)22(17)23/h8-9,12-13,22-23H,6-7,10-11H2,1-5H3,(H,28,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Applied Science University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 2 hrs by FRET assay


Bioorg Med Chem 18: 3088-115 (2010)


Article DOI: 10.1016/j.bmc.2010.03.043
BindingDB Entry DOI: 10.7270/Q2ZG6SFR
More data for this
Ligand-Target Pair