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BDBM223431 US9315520, 74

SMILES: C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ncnn2C)cs1

InChI Key: InChIKey=RHEXMKAPUVMCJM-KZGJKODISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223431   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1 (BACE1)


(Homo sapiens (Human))
BDBM223431
PNG
(US9315520, 74)
Show SMILES C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ncnn2C)cs1
Show InChI InChI=1S/C15H19N7O2S2/c1-8-3-9-4-26-14(16)21-15(9,6-24-8)13-20-10(5-25-13)19-12(23)11-17-7-18-22(11)2/h5,7-9H,3-4,6H2,1-2H3,(H2,16,21)(H,19,23)/t8-,9-,15?/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.56E+3n/an/an/an/a4.537



Pfizer Inc

US Patent


Assay Description
The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...


US Patent US9315520 (2016)


BindingDB Entry DOI: 10.7270/Q20000Z5
More data for this
Ligand-Target Pair