BDBM155142 US9000184, 11, isomer 1

SMILES: CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N

InChI Key: InChIKey=RDZDAKHZWXGMEB-FIXZJJGLSA-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 = 155142   

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))	BDBM155142 (US9000184, 11, isomer 1) Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-3.66,;3.97,-3.66,;3.2,-2.32,;3.97,-.99,;5.51,-.99,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)| Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25+,26?	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	4.5	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 US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155142 (US9000184, 11, isomer 1) Show SMILES CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-3.66,;3.97,-3.66,;3.2,-2.32,;3.97,-.99,;5.51,-.99,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)| Show InChI InChI=1S/C26H27ClN4O/c1-16-24(29)31-26(30-16)23-14-19(20-11-17(15-28)12-21(27)13-20)4-3-18(23)5-8-25(26)9-6-22(32-2)7-10-25/h3-4,11-14,22H,5-10H2,1-2H3,(H2,29,31)/t22-,25+,26?	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60	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 beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair