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BDBM150699 US8981112, 6::US9526727, 6::US9949975, Example 6

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C

InChI Key: InChIKey=TXIYYIMILCUFDC-PNBVQNFGNA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 150699   
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))
BDBM150699
PNG
(US8981112, 6 | US9526727, 6 | US9949975, Example 6)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C
Show InChI InChI=1/C24H26N6O2/c1-15-11-23(7-6-19(15)32-2)12-17-5-4-16(13-25)10-18(17)24(23)21(31)30(22(26)29-24)14-20-27-8-3-9-28-20/h3-5,8-10,15,19H,6-7,11-12,14H2,1-2H3,(H2,26,29)/t15-,19-,23-,24+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/an/an/an/a4.4n/a



Vitae Pharmaceuticals, Inc.; Boehringer-Ingelheim International GmbH

US Patent


Assay Description
The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...


US Patent US8981112 (2015)


BindingDB Entry DOI: 10.7270/Q2B56HG6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM150699
PNG
(US8981112, 6 | US9526727, 6 | US9949975, Example 6)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C
Show InChI InChI=1/C24H26N6O2/c1-15-11-23(7-6-19(15)32-2)12-17-5-4-16(13-25)10-18(17)24(23)21(31)30(22(26)29-24)14-20-27-8-3-9-28-20/h3-5,8-10,15,19H,6-7,11-12,14H2,1-2H3,(H2,26,29)/t15-,19-,23-,24+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta...


US Patent US9949975 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE1)


(Homo sapiens (Human))
BDBM150699
PNG
(US8981112, 6 | US9526727, 6 | US9949975, Example 6)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C
Show InChI InChI=1/C24H26N6O2/c1-15-11-23(7-6-19(15)32-2)12-17-5-4-16(13-25)10-18(17)24(23)21(31)30(22(26)29-24)14-20-27-8-3-9-28-20/h3-5,8-10,15,19H,6-7,11-12,14H2,1-2H3,(H2,26,29)/t15-,19-,23-,24+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11n/an/an/an/a4.4n/a



Vitae Pharmaceutical, Inc.

US Patent


Assay Description
The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...


US Patent US9526727 (2016)


BindingDB Entry DOI: 10.7270/Q2K936GW
More data for this
Ligand-Target Pair