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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50398895   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398895
PNG
(CHEMBL2178170)
Show SMILES COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(c1)-c1cccnc1 |w:19.21|
Show InChI InChI=1S/C25H22ClN5O3/c1-15-22(23(31-34-15)17-5-7-21(33-2)8-6-17)24(32)30-25(27)29-13-16-10-19(12-20(26)11-16)18-4-3-9-28-14-18/h3-12,14H,13H2,1-2H3,(H3,27,29,30,32)
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