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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM155104'   
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))
BDBM155104
PNG
(US9000182, 13, isomer 1)
Show SMILES CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F
Show InChI InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(28-10-2-9-22)4-3-14(17)12-20(21)7-5-15(6-8-20)29-19(23)24/h3-4,11,15,19H,2,5-10,12H2,1H3,(H2,25,27)/t15-,20-,21-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/an/a37



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair