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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50152293'   
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 1


(Homo sapiens (Human))
BDBM50152293
PNG
(CHEMBL360828 | {3-[(S)-4-(1-Benzylcarbamoyl-2-meth...)
Show SMILES CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H53N5O7/c1-19(2)14-23(34-18-26(39)24(16-27(33)40)36-31(43)44-32(6,7)8)25(38)15-21(5)29(41)37-28(20(3)4)30(42)35-17-22-12-10-9-11-13-22/h9-13,19-21,23-25,28,34,38H,14-18H2,1-8H3,(H2,33,40)(H,35,42)(H,36,43)(H,37,41)/t21?,23-,24-,25?,28?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.13E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Beta-secretase


Bioorg Med Chem Lett 14: 4843-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.044
BindingDB Entry DOI: 10.7270/Q2M32WJX
More data for this
Ligand-Target Pair