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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1 [1-454]' and Ligand = 'BDBM210883'   
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 [1-454]


(Homo sapiens (Human))		BDBM210883
PNG
(US9290477, 1)
Show SMILES CO[C@@H]1[C@@H](C)CC2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)C[C@H]1C |r,c:22,t:18|
Show InChI InChI=1S/C20H26BrN3O/c1-11-8-19(9-12(2)17(11)25-4)10-14-5-6-15(21)7-16(14)20(19)23-13(3)18(22)24-20/h5-7,11-12,17H,8-10H2,1-4H3,(H2,22,24)/t11-,12+,17+,19?,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a4.4n/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) containing th...

US Patent US9290477 (2016)


BindingDB Entry DOI: 10.7270/Q2C82853
More data for this
Ligand-Target Pair