BDBM155107 US9000182, 15, isomer 1

SMILES: CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N

InChI Key: InChIKey=MJQOUOQLEXOUFE-OYDLWJJNSA-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 = 155107   

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))	BDBM155107 (US9000182, 15, isomer 1) Show SMILES CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.2,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)| Show InChI InChI=1S/C24H23ClN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11,20,30H,4-7,12H2,1H3,(H2,27,29)/t20-,23-,24-/m0/s1	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	1.60	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))	BDBM155107 (US9000182, 15, isomer 1) Show SMILES CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.2,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)| Show InChI InChI=1S/C24H23ClN4O/c1-14-22(27)29-24(28-14)21-11-16(18-8-15(13-26)9-19(25)10-18)2-3-17(21)12-23(24)6-4-20(30)5-7-23/h2-3,8-11,20,30H,4-7,12H2,1H3,(H2,27,29)/t20-,23-,24-/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	3.20	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