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2 similar compounds to monomer 50432186

Compile data set for download or QSAR
Wt: 356.8
BDBM50432185
Wt: 322.4
BDBM50432187
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50432185,50432187   
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))
BDBM50432187
PNG
(CHEMBL2136098)
Show SMILES CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(O)=O)=N1
Show InChI InChI=1/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 2.72E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432185
PNG
(CHEMBL2346790)
Show SMILES CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)C(O)=O)=N1
Show InChI InChI=1/C20H21ClN2O2/c1-20(2)12-14-11-15(21)8-9-16(14)18(23-20)22-17(19(24)25)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,22,23)(H,24,25)/t17-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.84E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of BACE-1 (unknown origin) by alpha screen assay


Bioorg Med Chem Lett 23: 2181-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.103
BindingDB Entry DOI: 10.7270/Q25B03WH
More data for this
Ligand-Target Pair