BDBM249093 US9453034, 7

SMILES: CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F

InChI Key: InChIKey=ZNVPCWFQKHJDHK-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 = 249093   

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))	BDBM249093 (US9453034, 7) Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r| Show InChI InChI=1S/C21H22F3N5O4S/c1-20(11-34(31,32)21(18(25)28-20)9-29(2)10-21)14-7-12(3-5-15(14)22)27-17(30)16-6-4-13(8-26-16)33-19(23)24/h3-8,19H,9-11H2,1-2H3,(H2,25,28)(H,27,30)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	-11.9	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM249093 (US9453034, 7) Show SMILES CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r| Show InChI InChI=1S/C21H22F3N5O4S/c1-20(11-34(31,32)21(18(25)28-20)9-29(2)10-21)14-7-12(3-5-15(14)22)27-17(30)16-6-4-13(8-26-16)33-19(23)24/h3-8,19H,9-11H2,1-2H3,(H2,25,28)(H,27,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.30	-11.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC
					More data for this Ligand-Target Pair