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BDBM259023 US9499502, 9dg-b

SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccc(F)cc1

InChI Key: InChIKey=QJTNVDROEBMADB-BJKOFHAPSA-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 = 259023   
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))
BDBM259023
PNG
(US9499502, 9dg-b)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2N5O4S/c1-23(13-36(33,34)24(2,22(27)31-23)14-4-6-15(25)7-5-14)17-10-16(8-9-18(17)26)30-21(32)19-11-29-20(35-3)12-28-19/h4-12H,13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
186 -9.33n/an/an/an/an/a5.030



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...


US Patent US9499502 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FJJ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM259023
PNG
(US9499502, 9dg-b)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2N5O4S/c1-23(13-36(33,34)24(2,22(27)31-23)14-4-6-15(25)7-5-14)17-10-16(8-9-18(17)26)30-21(32)19-11-29-20(35-3)12-28-19/h4-12H,13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
400 -8.87n/an/an/an/an/a5.030



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 US9499502 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FJJ
More data for this
Ligand-Target Pair