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BDBM242292 US9416129, 70

SMILES: CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1nccs1

InChI Key: InChIKey=TVKYFRVIGVQDAT-SFHVURJKSA-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 = 242292   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))
BDBM242292
PNG
(US9416129, 70)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1nccs1
Show InChI InChI=1S/C18H17ClN4O2S3/c1-18(10-28(24,25)23(2)17(20)22-18)15-13(19)9-14(27-15)11-3-5-12(6-4-11)16-21-7-8-26-16/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
174 -9.37n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


US Patent US9416129 (2016)


BindingDB Entry DOI: 10.7270/Q2HM57C6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM242292
PNG
(US9416129, 70)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1nccs1
Show InChI InChI=1S/C18H17ClN4O2S3/c1-18(10-28(24,25)23(2)17(20)22-18)15-13(19)9-14(27-15)11-3-5-12(6-4-11)16-21-7-8-26-16/h3-9H,10H2,1-2H3,(H2,20,22)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
827 -8.43n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 μl are preincubated with purified human BACE1 c...


US Patent US9416129 (2016)


BindingDB Entry DOI: 10.7270/Q2HM57C6
More data for this
Ligand-Target Pair