BDBM210885 US9290477, 3

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

InChI Key: InChIKey=WLGIAANTNKCBRY-VIWMDICNSA-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 = 210885   

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))	BDBM210885 (US9290477, 3) Show SMILES C[C@H]1C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)[N+]#[C-])C[C@@H](C)[C@@H]1O |r,c:18,t:14| Show InChI InChI=1S/C20H24N4O/c1-11-8-19(9-12(2)17(11)25)10-14-5-6-15(22-4)7-16(14)20(19)23-13(3)18(21)24-20/h5-7,11-12,17,25H,8-10H2,1-3H3,(H2,21,24)/t11-,12+,17+,19+,20-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	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