BDBM147159 US8957083, 37

SMILES: CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1

InChI Key: InChIKey=HTKSVVHBDHDWCE-LJAQVGFWSA-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 = 147159   

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))	BDBM147159 (US8957083, 37) Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 |r,c:3| Show InChI InChI=1S/C29H21ClFN3O2/c1-16-6-8-17(9-7-16)20-14-23-26(24(31)15-20)36-25-11-10-19(18-4-3-5-21(30)12-18)13-22(25)29(23)27(35)34(2)28(32)33-29/h3-15H,1-2H3,(H2,32,33)/t29-/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	2.90	n/a	n/a	n/a	n/a	4.2	n/a
Amgen Inc. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US8957083 (2015) BindingDB Entry DOI: 10.7270/Q25Q4TS5
					More data for this Ligand-Target Pair