BDBM190698 US9181236, 2

SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1

InChI Key: InChIKey=PHDUENDORNBRHI-SFHVURJKSA-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 = 190698   

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))	BDBM190698 (US9181236, 2) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI InChI=1S/C19H20FN5O4S/c1-18(10-30(27,28)19(5-6-19)17(21)25-18)12-7-11(3-4-13(12)20)24-16(26)14-8-23-15(29-2)9-22-14/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.20	-11.6	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
Beta-secretase 2 (Homo sapiens (Human))	BDBM190698 (US9181236, 2) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r| Show InChI InChI=1S/C19H20FN5O4S/c1-18(10-30(27,28)19(5-6-19)17(21)25-18)12-7-11(3-4-13(12)20)24-16(26)14-8-23-15(29-2)9-22-14/h3-4,7-9H,5-6,10H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<20	<-10.7	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