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BDBM124147 US8754075, 17

SMILES: C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F

InChI Key: InChIKey=LUQWHFMXIMHIHJ-MAUKXSAKSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 124147   
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 2


(Homo sapiens (Human))
BDBM124147
PNG
(US8754075, 17)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C19H17F5N4O3/c1-18(15(21)8-30-17(25)28-18)12-6-10(2-4-13(12)20)27-16(29)14-5-3-11(7-26-14)31-9-19(22,23)24/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30E+3n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM124147
PNG
(US8754075, 17)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C19H17F5N4O3/c1-18(15(21)8-30-17(25)28-18)12-6-10(2-4-13(12)20)27-16(29)14-5-3-11(7-26-14)31-9-19(22,23)24/h2-7,15H,8-9H2,1H3,(H2,25,28)(H,27,29)/t15-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair