BDBM243013 US9422277, 76

SMILES: CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1

InChI Key: InChIKey=KXJAAHGJNPSZTB-FQEVSTJZSA-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 = 243013   

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))	BDBM243013 (US9422277, 76) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1 |r| Show InChI InChI=1S/C20H17ClN6O4S2/c1-20(10-33(28,29)27(2)19(22)23-20)16-13(21)9-15(32-16)18-25-24-17(31-18)12-5-3-11(4-6-12)14-7-8-30-26-14/h3-9H,10H2,1-2H3,(H2,22,23)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	109	-9.65	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))	BDBM243013 (US9422277, 76) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1 |r| Show InChI InChI=1S/C20H17ClN6O4S2/c1-20(10-33(28,29)27(2)19(22)23-20)16-13(21)9-15(32-16)18-25-24-17(31-18)12-5-3-11(4-6-12)14-7-8-30-26-14/h3-9H,10H2,1-2H3,(H2,22,23)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	243	-9.17	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