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BDBM337540 US9745324, 9

SMILES: COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)c1

InChI Key: InChIKey=GDBVKGOVAWMTDW-QFIPXVFZSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 337540   
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))
BDBM337540
PNG
(US9745324, 9)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)c1
Show InChI InChI=1S/C22H28FN5O4S/c1-13-9-15(32-6)11-25-18(13)19(29)26-14-7-8-17(23)16(10-14)22(4)12-28(5)33(30,31)21(2,3)20(24)27-22/h7-11H,12H2,1-6H3,(H2,24,27)(H,26,29)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
32n/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)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM337540
PNG
(US9745324, 9)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)c1
Show InChI InChI=1S/C22H28FN5O4S/c1-13-9-15(32-6)11-25-18(13)19(29)26-14-7-8-17(23)16(10-14)22(4)12-28(5)33(30,31)21(2,3)20(24)27-22/h7-11H,12H2,1-6H3,(H2,24,27)(H,26,29)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
68n/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)

More data for this
Ligand-Target Pair