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BDBM50410870 CHEMBL204443

SMILES: CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC\C=C\Cc1ccccc1

InChI Key: InChIKey=WALSWAQNKBKFPJ-YWPWCQROSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410870   
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 amyloid A4 protein


(Homo sapiens (Human))
BDBM50410870
PNG
(CHEMBL204443)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC\C=C\Cc1ccccc1
Show InChI InChI=1S/C40H51N3O4/c1-4-16-35(38(44)41-25-13-11-19-31-17-7-5-8-18-31)36(27-30(2)3)39(45)42-37-24-12-14-26-43(40(37)46)29-32-20-15-23-34(28-32)47-33-21-9-6-10-22-33/h5-11,13,15,17-18,20-23,28,30,35-37H,4,12,14,16,19,24-27,29H2,1-3H3,(H,41,44)(H,42,45)/b13-11+/t35-,36+,37-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair