BDBM190778 US9181236, 62l

SMILES: C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccco1

InChI Key: InChIKey=XMAJTXQDFFTSRK-SFTDATJTSA-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 = 190778   

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))	BDBM190778 (US9181236, 62l) Show SMILES C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccco1 |r| Show InChI InChI=1S/C21H20ClN3O4S2/c1-20(12-31(26,27)21(19(23)25-20)5-8-28-11-21)18-14(22)10-17(30-18)13-4-6-24-15(9-13)16-3-2-7-29-16/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H2,23,25)/t20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.20	-12.0	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))	BDBM190778 (US9181236, 62l) Show SMILES C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccco1 |r| Show InChI InChI=1S/C21H20ClN3O4S2/c1-20(12-31(26,27)21(19(23)25-20)5-8-28-11-21)18-14(22)10-17(30-18)13-4-6-24-15(9-13)16-3-2-7-29-16/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H2,23,25)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	45.3	-10.2	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