BDBM259066 US9499502, 9ee-a

SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F

InChI Key: InChIKey=HSZFAIAMGODYEK-XZOQPEGZSA-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 = 259066   

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))	BDBM259066 (US9499502, 9ee-a) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F4N6O4S/c1-22(15-9-14(4-5-16(15)25)33-20(35)17-10-32-19(38-3)11-31-17)12-39(36,37)23(2,21(29)34-22)18-8-13(6-7-30-18)24(26,27)28/h4-11H,12H2,1-3H3,(H2,29,34)(H,33,35)/t22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	-12.3	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))	BDBM259066 (US9499502, 9ee-a) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F4N6O4S/c1-22(15-9-14(4-5-16(15)25)33-20(35)17-10-32-19(38-3)11-31-17)12-39(36,37)23(2,21(29)34-22)18-8-13(6-7-30-18)24(26,27)28/h4-11H,12H2,1-3H3,(H2,29,34)(H,33,35)/t22-,23+/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