BDBM258970 US9499502, 9bu

SMILES: C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cocn2)cc(F)c1F

InChI Key: InChIKey=SAMYFOBCOCFQNG-KRWDZBQOSA-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 = 258970   

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))	BDBM258970 (US9499502, 9bu) Show SMILES C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cocn2)cc(F)c1F |r| Show InChI InChI=1S/C17H18F2N4O4S/c1-16(2)15(20)23-17(3,7-28(16,25)26)10-4-9(5-11(18)13(10)19)22-14(24)12-6-27-8-21-12/h4-6,8H,7H2,1-3H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-11.5	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 US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM258970 (US9499502, 9bu) Show SMILES C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cocn2)cc(F)c1F |r| Show InChI InChI=1S/C17H18F2N4O4S/c1-16(2)15(20)23-17(3,7-28(16,25)26)10-4-9(5-11(18)13(10)19)22-14(24)12-6-27-8-21-12/h4-6,8H,7H2,1-3H3,(H2,20,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	-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 US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair