BDBM150702 US8981112, 9::US9526727, 9::US9949975, Example 9

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C

InChI Key: InChIKey=NAZOMBGGSSUBEQ-SOPLCPCWSA-N

Data: 3 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 3 hits for monomerid = 150702   

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))	BDBM150702 (US8981112, 9 | US9526727, 9 | US9949975, Example 9) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C |r,t:16| Show InChI InChI=1S/C24H26N6O2/c1-15-10-23(7-5-20(15)32-2)11-17-4-3-16(12-25)9-19(17)24(23)21(31)30(22(26)29-24)13-18-6-8-27-14-28-18/h3-4,6,8-9,14-15,20H,5,7,10-11,13H2,1-2H3,(H2,26,29)/t15-,20-,23-,24+/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	9	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceuticals, Inc.; Boehringer-Ingelheim International GmbH US Patent					Assay Description The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...				US Patent US8981112 (2015) BindingDB Entry DOI: 10.7270/Q2B56HG6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM150702 (US8981112, 9 | US9526727, 9 | US9949975, Example 9) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C |r,t:16| Show InChI InChI=1S/C24H26N6O2/c1-15-10-23(7-5-20(15)32-2)11-17-4-3-16(12-25)9-19(17)24(23)21(31)30(22(26)29-24)13-18-6-8-27-14-28-18/h3-4,6,8-9,14-15,20H,5,7,10-11,13H2,1-2H3,(H2,26,29)/t15-,20-,23-,24+/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute					Assay Description Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta...				J Med Chem 52: 336-46 (2009) BindingDB Entry DOI: 10.7270/Q25D8V5X
					More data for this Ligand-Target Pair
Beta-secretase 1 (BACE1) (Homo sapiens (Human))	BDBM150702 (US8981112, 9 | US9526727, 9 | US9949975, Example 9) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C |r,t:16| Show InChI InChI=1S/C24H26N6O2/c1-15-10-23(7-5-20(15)32-2)11-17-4-3-16(12-25)9-19(17)24(23)21(31)30(22(26)29-24)13-18-6-8-27-14-28-18/h3-4,6,8-9,14-15,20H,5,7,10-11,13H2,1-2H3,(H2,26,29)/t15-,20-,23-,24+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceutical, Inc. US Patent					Assay Description The inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE1 activity using commercially available substrate HiLyte Fluo...				US Patent US9526727 (2016) BindingDB Entry DOI: 10.7270/Q2K936GW
					More data for this Ligand-Target Pair