BDBM307702 US9650336, Example 5

SMILES: CO[C@H]1CC[C@]2(CC1)Oc1ccc(cc1C21C=C(F)C(N)=N1)-c1cc(F)cc(c1)C#N

InChI Key: InChIKey=QNDQEWXCJCWQCH-MISFUKOXSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 307702   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-secretase 1 (aa 1-460) (Homo sapiens (Human))	BDBM307702 (US9650336, Example 5) Show SMILES CO[C@H]1CC[C@]2(CC1)Oc1ccc(cc1C21C=C(F)C(N)=N1)-c1cc(F)cc(c1)C#N |r,wD:5.8,2.1,c:23,t:19,(7.88,-4.03,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;3.26,-4.03,;4.8,-4.03,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.15,;.12,-1.93,;1.59,-1.45,;3.05,-.97,;3.05,.57,;4.38,1.34,;1.59,1.04,;.82,2.38,;.68,-.2,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-7.88,-1.93,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,)| Show InChI InChI=1S/C24H21F2N3O2/c1-30-18-4-6-23(7-5-18)24(12-20(26)22(28)29-24)19-11-15(2-3-21(19)31-23)16-8-14(13-27)9-17(25)10-16/h2-3,8-12,18H,4-7H2,1H3,(H2,28,29)/t18-,23+,24?	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description The cDNA for the soluble part of the human 13-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The...				US Patent US9650336 (2017) BindingDB Entry DOI: 10.7270/Q23X88QM
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