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BDBM50485999 CHEMBL2203382

SMILES: Fc1ccc2nc(oc2n1)-c1ccc2[nH]ccc2c1

InChI Key: InChIKey=OPIQIKGQYWXXTD-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485999   
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))
BDBM50485999
PNG
(CHEMBL2203382)
Show SMILES Fc1ccc2nc(oc2n1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C14H8FN3O/c15-12-4-3-11-14(18-12)19-13(17-11)9-1-2-10-8(7-9)5-6-16-10/h1-7,16H
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human amyloid beta plaque


ACS Med Chem Lett 2: 498-502 (2011)


Article DOI: 10.1021/ml200018n
BindingDB Entry DOI: 10.7270/Q2TB19RG
More data for this
Ligand-Target Pair