BDBM155138 US9000184, 8, isomer 2

SMILES: CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC

InChI Key: InChIKey=RMFCYJGEXZDLRL-HAOYJSTOSA-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 = 155138   

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))	BDBM155138 (US9000184, 8, isomer 2) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wD:5.8,2.1,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-.25,;4.72,-.25,;3.95,-1.58,;4.72,-2.91,;6.26,-2.91,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)| Show InChI InChI=1S/C27H30N4O/c1-4-5-19-14-22(17-29-16-19)21-7-6-20-8-11-26(12-9-23(32-3)10-13-26)27(24(20)15-21)30-18(2)25(28)31-27/h6-7,14-17,23H,8-13H2,1-3H3,(H2,28,31)/t23-,26-,27?	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 US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM155138 (US9000184, 8, isomer 2) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wD:5.8,2.1,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-.25,;4.72,-.25,;3.95,-1.58,;4.72,-2.91,;6.26,-2.91,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)| Show InChI InChI=1S/C27H30N4O/c1-4-5-19-14-22(17-29-16-19)21-7-6-20-8-11-26(12-9-23(32-3)10-13-26)27(24(20)15-21)30-18(2)25(28)31-27/h6-7,14-17,23H,8-13H2,1-3H3,(H2,28,31)/t23-,26-,27?	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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