BDBM136744 US8865911, 20g Isomer 1

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1

InChI Key: InChIKey=GJVWSAKHBXGRHV-OPXMRZJTSA-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 = 136744   

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 (Homo sapiens (Human))	BDBM136744 (US8865911, 20g Isomer 1) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-4.03,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;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,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-6.55,.38,;-7.88,1.16,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)| Show InChI InChI=1S/C25H25FN4O/c1-15-23(28)30-25(29-15)21-12-17(16-5-6-22(26)19(11-16)14-27)3-4-18(21)13-24(25)9-7-20(31-2)8-10-24/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,28,30)/t20-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	9.2	n/a
Astrazeneca AB US Patent					Assay Description TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...				US Patent US8865911 (2014) BindingDB Entry DOI: 10.7270/Q2T72G4T
					More data for this Ligand-Target Pair