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BDBM337532 US9745324, 1

SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1

InChI Key: InChIKey=GKPYEIKDVUIKPL-FQEVSTJZSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 337532   
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


(Homo sapiens (Human))
BDBM337532
PNG
(US9745324, 1)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C20H25FN6O4S/c1-19(2)18(22)26-20(3,11-27(4)32(19,29)30)13-8-12(6-7-14(13)21)25-17(28)15-9-24-16(31-5)10-23-15/h6-10H,11H2,1-5H3,(H2,22,26)(H,25,28)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)


Article DOI: 10.1021/jm049187l
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM337532
PNG
(US9745324, 1)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1
Show InChI InChI=1S/C20H25FN6O4S/c1-19(2)18(22)26-20(3,11-27(4)32(19,29)30)13-8-12(6-7-14(13)21)25-17(28)15-9-24-16(31-5)10-23-15/h6-10H,11H2,1-5H3,(H2,22,26)(H,25,28)/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
102n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9745324 (2017)


Article DOI: 10.1021/jm049187l
More data for this
Ligand-Target Pair