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SMILES: CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N

InChI Key: InChIKey=CWIATWAMZSVNNY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50226455   
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))
BDBM50226455
PNG
(2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3,6-dimeth...)
Show SMILES CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N |c:23|
Show InChI InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


J Med Chem 50: 5912-25 (2007)


Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50226455
PNG
(2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3,6-dimeth...)
Show SMILES CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N |c:23|
Show InChI InChI=1S/C20H23N3O/c1-20(14-18(24)23(2)19(21)22-20)12-11-15-7-6-10-17(13-15)16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H2,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals LP

Curated by ChEMBL


Assay Description
Inhibition of human full length BACE1 expressed in HEK293 cells


J Med Chem 50: 5912-25 (2007)


Article DOI: 10.1021/jm070829p
BindingDB Entry DOI: 10.7270/Q2B27V0D
More data for this
Ligand-Target Pair