BDBM258916 US9499502, 9o

SMILES: COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)c(F)c1

InChI Key: InChIKey=NYBUFMMBZQXQOA-FQEVSTJZSA-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 = 258916   

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))	BDBM258916 (US9499502, 9o) Show SMILES COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)c(F)c1 |r| Show InChI InChI=1S/C20H21F3N4O4S/c1-19(2)18(24)27-20(3,9-32(19,29)30)12-5-10(6-13(21)15(12)23)26-17(28)16-14(22)7-11(31-4)8-25-16/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-11.8	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
Beta-secretase 2 (Homo sapiens (Human))	BDBM258916 (US9499502, 9o) Show SMILES COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)c(F)c1 |r| Show InChI InChI=1S/C20H21F3N4O4S/c1-19(2)18(24)27-20(3,9-32(19,29)30)12-5-10(6-13(21)15(12)23)26-17(28)16-14(22)7-11(31-4)8-25-16/h5-8H,9H2,1-4H3,(H2,24,27)(H,26,28)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	<-11.1	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-EISEVN...				US Patent US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair