BDBM243012 US9422277, 75

SMILES: CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=SMSPJNIMZPNYEZ-INIZCTEOSA-N

Data: 2 KI

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 = 243012   

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))	BDBM243012 (US9422277, 75) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C17H14ClF3N6O3S2/c1-16(7-32(28,29)27(2)15(22)24-16)12-9(18)5-11(31-12)14-26-25-13(30-14)10-4-3-8(6-23-10)17(19,20)21/h3-6H,7H2,1-2H3,(H2,22,24)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	165	-9.40	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM243012 (US9422277, 75) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C17H14ClF3N6O3S2/c1-16(7-32(28,29)27(2)15(22)24-16)12-9(18)5-11(31-12)14-26-25-13(30-14)10-4-3-8(6-23-10)17(19,20)21/h3-6H,7H2,1-2H3,(H2,22,24)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	303	-9.03	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair