BDBM190701 US9181236, 5

SMILES: COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1

InChI Key: InChIKey=XAGKPFWKUPZWQJ-IBGZPJMESA-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 = 190701   

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 2 (Homo sapiens (Human))	BDBM190701 (US9181236, 5) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI InChI=1S/C20H21FN4O4S/c1-19(11-30(27,28)20(7-8-20)18(22)25-19)14-9-12(3-5-15(14)21)24-17(26)16-6-4-13(29-2)10-23-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.90	-12.1	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-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190701 (US9181236, 5) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI InChI=1S/C20H21FN4O4S/c1-19(11-30(27,28)20(7-8-20)18(22)25-19)14-9-12(3-5-15(14)21)24-17(26)16-6-4-13(29-2)10-23-16/h3-6,9-10H,7-8,11H2,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.40	-11.7	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 US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair