BDBM155143 US9000184, 11, isomer 2

SMILES: CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1[C@@]21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N

InChI Key: InChIKey=RDZDAKHZWXGMEB-HRNNMHKYSA-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 = 155143   

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))	BDBM155143 (US9000184, 11, isomer 2) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1[C@@]21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:16.19,wD:2.1,5.8,c:24,t:20,(8.7,-2.49,;7.93,-1.16,;6.39,-1.16,;5.62,.18,;4.08,.18,;3.31,-1.16,;4.08,-2.49,;5.62,-2.49,;3.31,-2.69,;1.97,-3.47,;.64,-2.7,;-.69,-3.47,;-2.03,-2.69,;-2.03,-1.15,;-.69,-.38,;.64,-1.15,;1.97,-.38,;.73,.52,;1.2,1.98,;.43,3.32,;2.74,1.98,;3.51,3.32,;3.22,.52,;-3.36,-.38,;-3.36,1.15,;-4.7,1.93,;-4.7,3.47,;-6.03,1.15,;-6.03,-.38,;-4.7,-1.15,;-7.36,-1.15,;-8.7,-1.93,)| 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-/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	>5.00E+3	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description 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-AA 460) was cl...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair