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BDBM113277 US8633212, 55::US9212153, 55

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)C#CC2CC2)CC1

InChI Key: InChIKey=ZZMSMTYJMCOVRM-AHLJTMJASA-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 = 113277   
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 (1-458 aa)


(Homo sapiens (human))
BDBM113277
PNG
(US8633212, 55 | US9212153, 55)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-27-21(28)15-24(26-22(27)25)20-13-17(6-5-16-3-4-16)7-8-18(20)14-23(24)11-9-19(29-2)10-12-23/h7-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H2,25,26)/t19-,23-,24?
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 670n/an/an/an/a4.525



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity using commercially available substrate HiLyte Fluor 488...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE)


(Homo sapiens (Human))
BDBM113277
PNG
(US8633212, 55 | US9212153, 55)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)C#CC2CC2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-27-21(28)15-24(26-22(27)25)20-13-17(6-5-16-3-4-16)7-8-18(20)14-23(24)11-9-19(29-2)10-12-23/h7-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H2,25,26)/t19-,23-,24?
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 670n/an/an/an/a4.525



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair