BDBM224810 US9328124, 15

SMILES: CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cccnc1

InChI Key: InChIKey=PUWPLAOZXPBDEI-KPZWWZAWSA-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 = 224810   

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 (aa 1-460) (Homo sapiens (Human))	BDBM224810 (US9328124, 15) Show SMILES CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cccnc1 |r,c:18| Show InChI InChI=1S/C18H21FN6OS/c1-17(2,26)14-13(19)7-22-16(23-14)25-8-12-9-27-15(20)24-18(12,10-25)11-4-3-5-21-6-11/h3-7,12,26H,8-10H2,1-2H3,(H2,20,24)/t12-,18+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93.5	n/a	n/a	n/a	n/a	4.6	25
Eli Lilly and Company US Patent					Assay Description Ten μL of each dilution is added to each well on row A to H of a corresponding low protein binding black plate containing the reaction mixture (25...				US Patent US9328124 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M66
					More data for this Ligand-Target Pair