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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50305474   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))
BDBM50305474
PNG
(CHEMBL594896 | N-(3-(2-amino-4-cyclohexyl-1-methyl...)
Show SMILES COc1cccc(c1)C(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:20|
Show InChI InChI=1S/C24H28N4O3/c1-28-22(30)24(27-23(28)25,17-9-4-3-5-10-17)18-11-7-12-19(15-18)26-21(29)16-8-6-13-20(14-16)31-2/h6-8,11-15,17H,3-5,9-10H2,1-2H3,(H2,25,27)(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 by FRET assay


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50305474
PNG
(CHEMBL594896 | N-(3-(2-amino-4-cyclohexyl-1-methyl...)
Show SMILES COc1cccc(c1)C(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:20|
Show InChI InChI=1S/C24H28N4O3/c1-28-22(30)24(27-23(28)25,17-9-4-3-5-10-17)18-11-7-12-19(15-18)26-21(29)16-8-6-13-20(14-16)31-2/h6-8,11-15,17H,3-5,9-10H2,1-2H3,(H2,25,27)(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.36E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by FRET assay


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair