BDBM210884 US9290477, 2

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

InChI Key: InChIKey=XDEYYVVDSVTBMO-RSFMMIOLSA-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 = 210884   

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 (BACE1) (Homo sapiens (Human))	BDBM210884 (US9290477, 2) Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)[N+]#[C-])C[C@H]1C |r,c:21,t:17| Show InChI InChI=1S/C21H26N4O/c1-12-9-20(10-13(2)18(12)26-5)11-15-6-7-16(23-4)8-17(15)21(20)24-14(3)19(22)25-21/h6-8,12-13,18H,9-11H2,1-3,5H3,(H2,22,25)/t12-,13+,18+,20+,21-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	4.4	n/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