BDBM190718 US9181236, 22

SMILES: C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F

InChI Key: InChIKey=LANVFBZXABIOHF-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 = 190718   

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))	BDBM190718 (US9181236, 22) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-19(11-32(30,31)20(17(24)26-19)7-2-3-8-20)13-10-12(4-5-14(13)21)25-16(29)15-6-9-28(27-15)18(22)23/h4-6,9-10,18H,2-3,7-8,11H2,1H3,(H2,24,26)(H,25,29)/t19-/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-EISE...				US Patent US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM190718 (US9181236, 22) Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-19(11-32(30,31)20(17(24)26-19)7-2-3-8-20)13-10-12(4-5-14(13)21)25-16(29)15-6-9-28(27-15)18(22)23/h4-6,9-10,18H,2-3,7-8,11H2,1H3,(H2,24,26)(H,25,29)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12.7	-10.9	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 US9181236 (2015) BindingDB Entry DOI: 10.7270/Q2NC5ZZB
					More data for this Ligand-Target Pair