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BDBM50398912 CHEMBL2177116

SMILES: COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cccc2ccccc12

InChI Key: InChIKey=ZKSDVGGMYURZGD-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398912   
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))
BDBM50398912
PNG
(CHEMBL2177116)
Show SMILES COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cccc2ccccc12 |w:19.21|
Show InChI InChI=1S/C24H22N4O3/c1-15-21(22(28-31-15)17-10-12-19(30-2)13-11-17)23(29)27-24(25)26-14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14H2,1-2H3,(H3,25,26,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells


J Med Chem 55: 9208-23 (2012)


Article DOI: 10.1021/jm300931y
BindingDB Entry DOI: 10.7270/Q20G3M8M
More data for this
Ligand-Target Pair