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BDBM210889 US9290477, 7

SMILES: CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)C[C@H]1C

InChI Key: InChIKey=HBTQOOAUHHGLEO-CBGRAPDISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 210889   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM210889
PNG
(US9290477, 7)
Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)C[C@H]1C |r,c:21,t:17|
Show InChI InChI=1S/C28H32N4O/c1-6-7-20-10-23(16-30-15-20)21-8-9-22-14-27(12-17(2)25(33-5)18(3)13-27)28(24(22)11-21)31-19(4)26(29)32-28/h8-11,15-18,25H,12-14H2,1-5H3,(H2,29,32)/t17-,18+,25+,27+,28-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 8.20n/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