BDBM259014 US9499502, 9dc-a

SMILES: COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1

InChI Key: InChIKey=LQELPBBEOLZTLK-DQEYMECFSA-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 = 259014   

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))	BDBM259014 (US9499502, 9dc-a) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1 |r| Show InChI InChI=1S/C25H24F2N4O4S/c1-24(14-36(33,34)25(2,23(28)31-24)15-5-4-6-16(26)11-15)19-12-17(7-9-20(19)27)30-22(32)21-10-8-18(35-3)13-29-21/h4-13H,14H2,1-3H3,(H2,28,31)(H,30,32)/t24-,25-/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))	BDBM259014 (US9499502, 9dc-a) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1 |r| Show InChI InChI=1S/C25H24F2N4O4S/c1-24(14-36(33,34)25(2,23(28)31-24)15-5-4-6-16(26)11-15)19-12-17(7-9-20(19)27)30-22(32)21-10-8-18(35-3)13-29-21/h4-13H,14H2,1-3H3,(H2,28,31)(H,30,32)/t24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	55	-10.1	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