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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM50172463'   
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 amyloid A4 protein


(Homo sapiens (Human))
BDBM50172463
PNG
(1-(2-Fluoro-4'-trifluoromethyl-biphenyl-4-yl)-cycl...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4O2/c18-14-9-12(16(7-8-16)15(22)23)5-6-13(14)10-1-3-11(4-2-10)17(19,20)21/h1-6,9H,7-8H2,(H,22,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Concentration required to inhibit A beta 40 peptide 100 um


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172463
PNG
(1-(2-Fluoro-4'-trifluoromethyl-biphenyl-4-yl)-cycl...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4O2/c18-14-9-12(16(7-8-16)15(22)23)5-6-13(14)10-1-3-11(4-2-10)17(19,20)21/h1-6,9H,7-8H2,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+5n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair