BDBM155094 US9000182, 3

SMILES: CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1

InChI Key: InChIKey=CLOXVWLCRWFUQF-OKHZSEBCSA-N

Data: 2 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 2 hits for monomerid = 155094   

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 amyloid A4 protein (Homo sapiens (Human))	BDBM155094 (US9000182, 3) Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)| Show InChI InChI=1S/C17H20BrN3O/c1-10-15(19)21-17(20-10)14-8-12(18)3-2-11(14)9-16(17)6-4-13(22)5-7-16/h2-3,8,13,22H,4-7,9H2,1H3,(H2,19,21)/t13-,16-,17?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	37
AstraZeneca AB US Patent					Assay Description SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155094 (US9000182, 3) Show SMILES CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)| Show InChI InChI=1S/C17H20BrN3O/c1-10-15(19)21-17(20-10)14-8-12(18)3-2-11(14)9-16(17)6-4-13(22)5-7-16/h2-3,8,13,22H,4-7,9H2,1H3,(H2,19,21)/t13-,16-,17?	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA...				US Patent US9000182 (2015) BindingDB Entry DOI: 10.7270/Q2TH8KDP
					More data for this Ligand-Target Pair