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BDBM50398913 CHEMBL2178207

SMILES: Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccc(F)cc1

InChI Key: InChIKey=VBTNJLBMOPJUGT-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398913   
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))
BDBM50398913
PNG
(CHEMBL2178207)
Show SMILES Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccc(F)cc1 |w:11.12|
Show InChI InChI=1S/C23H19FN4O2/c1-14-20(21(28-30-14)16-9-11-18(24)12-10-16)22(29)27-23(25)26-13-17-7-4-6-15-5-2-3-8-19(15)17/h2-12H,13H2,1H3,(H3,25,26,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80E+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