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BDBM165916 US9067924, 10

SMILES: CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key: InChIKey=DCVHGDNPQBRTDK-FQEVSTJZSA-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 = 165916   
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 (BACE1)


(Mus musculus (Mouse))
BDBM165916
PNG
(US9067924, 10)
Show SMILES CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:4|
Show InChI InChI=1S/C20H22F2N4O3S/c1-19(2)18(23)26-20(3,8-9-30(19,28)29)14-10-13(5-6-15(14)22)25-17(27)16-7-4-12(21)11-24-16/h4-7,10-11H,8-9H2,1-3H3,(H2,23,26)(H,25,27)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 62n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...


US Patent US9067924 (2015)


BindingDB Entry DOI: 10.7270/Q2R21049
More data for this
Ligand-Target Pair
Beta-secretase 2 (BACE2)


(Mus musculus (Mouse))
BDBM165916
PNG
(US9067924, 10)
Show SMILES CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:4|
Show InChI InChI=1S/C20H22F2N4O3S/c1-19(2)18(23)26-20(3,8-9-30(19,28)29)14-10-13(5-6-15(14)22)25-17(27)16-7-4-12(21)11-24-16/h4-7,10-11H,8-9H2,1-3H3,(H2,23,26)(H,25,27)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 181n/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies, raised against the extracellular domain of TMEM27) is used for detection of TMEM2...


US Patent US9067924 (2015)


BindingDB Entry DOI: 10.7270/Q2R21049
More data for this
Ligand-Target Pair