BDBM150707 US8981112, 14::US9526727, 14::US9949975, Example 14

SMILES: CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C

InChI Key: InChIKey=RRWJBJFMOGIAEN-HVVJEGBZSA-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 = 150707   

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))	BDBM150707 (US8981112, 14 | US9526727, 14 | US9949975, Example...) Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C |r,t:17| Show InChI InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/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	5	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))	BDBM150707 (US8981112, 14 | US9526727, 14 | US9949975, Example...) Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C |r,t:17| Show InChI InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/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	5	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))	BDBM150707 (US8981112, 14 | US9526727, 14 | US9949975, Example...) Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C |r,t:17| Show InChI InChI=1S/C25H32N4O3/c1-15-10-24(11-16(2)21(15)31-3)12-18-7-6-17(13-26)9-20(18)25(24)22(30)29(23(27)28-25)14-19-5-4-8-32-19/h6-7,9,15-16,19,21H,4-5,8,10-12,14H2,1-3H3,(H2,27,28)/t15-,16+,19-,21+,24+,25-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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