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BDBM256761 US9489013, 32

SMILES: CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O

InChI Key: InChIKey=NGPHTVXXKPWBFE-GWIGBITDSA-N

Data: 2 KI

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 = 256761   
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 (BACE2)


(Homo sapiens (Human))
BDBM256761
PNG
(US9489013, 32)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM256761
PNG
(US9489013, 32)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O
Show InChI InChI=1S/C25H30F2N6O4S/c1-24(19-11-18(4-5-20(19)27)30-22(34)21-6-3-17(26)12-29-21)25(38(35,36)32(2)23(28)31-24)8-9-33(15-25)13-16-7-10-37-14-16/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,28,31)(H,30,34)/t16?,24-,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


Citation and Details
More data for this
Ligand-Target Pair