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BDBM223324 US9315520, 11

SMILES: C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(CF)cn2)cs1

InChI Key: InChIKey=CBLCZFAAVKWPBF-YMNVWFMLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223324   
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 (BACE1)


(Homo sapiens (Human))
BDBM223324
PNG
(US9315520, 11)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(CF)cn2)cs1
Show InChI InChI=1S/C17H19FN6O2S2/c1-9-2-10-6-28-16(19)24-17(10,8-26-9)15-23-13(7-27-15)22-14(25)12-5-20-11(3-18)4-21-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,19,24)(H,22,25)/t9-,10-,17-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 315n/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