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BDBM50398901 CHEMBL2178203

SMILES: COc1ccc(cc1)-c1c(C(=O)NC(N)=NCc2cc(Cl)cc(Cl)c2)c(C)nn1C

InChI Key: InChIKey=KCBZDZJRCWQDNY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398901   
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))
BDBM50398901
PNG
(CHEMBL2178203)
Show SMILES COc1ccc(cc1)-c1c(C(=O)NC(N)=NCc2cc(Cl)cc(Cl)c2)c(C)nn1C |w:15.16|
Show InChI InChI=1S/C21H21Cl2N5O2/c1-12-18(19(28(2)27-12)14-4-6-17(30-3)7-5-14)20(29)26-21(24)25-11-13-8-15(22)10-16(23)9-13/h4-10H,11H2,1-3H3,(H3,24,25,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.00E+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