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BDBM34560 US8546380, 465::US8633188, 465

SMILES: COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1

InChI Key: InChIKey=VJEFMHFJVLHAHE-UHFFFAOYNA-N

Data: 2 IC50

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 = 34560   
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))
BDBM34560
PNG
(US8546380, 465 | US8633188, 465)
Show SMILES COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1
Show InChI InChI=1/C21H25N3O2S/c1-14-4-6-16(7-5-14)19(25)23-18-11-15(13-26-3)10-17(12-18)21(2)8-9-27-20(22)24-21/h4-7,10-12H,8-9,13H2,1-3H3,(H2,22,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.24E+3n/an/an/an/a5.030



Shionogi & Co., Ltd

US Patent


Assay Description
Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...


US Patent US8633188 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8JQ0
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM34560
PNG
(US8546380, 465 | US8633188, 465)
Show SMILES COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1
Show InChI InChI=1/C21H25N3O2S/c1-14-4-6-16(7-5-14)19(25)23-18-11-15(13-26-3)10-17(12-18)21(2)8-9-27-20(22)24-21/h4-7,10-12H,8-9,13H2,1-3H3,(H2,22,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.24E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

US Patent


Assay Description
Inhibition assay using beta-Secretase activity.


US Patent US8546380 (2013)


BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
More data for this
Ligand-Target Pair