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BDBM223442 US9315520, 85

SMILES: C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccnn2C2CC2)cs1

InChI Key: InChIKey=LDANGPADBQPDMH-QMZNTLOPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 223442   
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))
BDBM223442
PNG
(US9315520, 85)
Show SMILES C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2ccnn2C2CC2)cs1
Show InChI InChI=1S/C18H22N6O2S2/c1-10-6-11-7-28-17(19)23-18(11,9-26-10)16-22-14(8-27-16)21-15(25)13-4-5-20-24(13)12-2-3-12/h4-5,8,10-12H,2-3,6-7,9H2,1H3,(H2,19,23)(H,21,25)/t10-,11-,18?/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.24E+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