BDBM259056 US9499502, 9dz-a

SMILES: C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F

InChI Key: InChIKey=XLKKPKIXUHYZCJ-VXKWHMMOSA-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 = 259056   

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))	BDBM259056 (US9499502, 9dz-a) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r| Show InChI InChI=1S/C23H24F4N4O3S/c1-21(12-35(33,34)22(2,20(28)31-21)13-4-3-5-13)16-10-15(7-8-17(16)24)30-19(32)18-9-6-14(11-29-18)23(25,26)27/h6-11,13H,3-5,12H2,1-2H3,(H2,28,31)(H,30,32)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.40	-11.7	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))	BDBM259056 (US9499502, 9dz-a) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r| Show InChI InChI=1S/C23H24F4N4O3S/c1-21(12-35(33,34)22(2,20(28)31-21)13-4-3-5-13)16-10-15(7-8-17(16)24)30-19(32)18-9-6-14(11-29-18)23(25,26)27/h6-11,13H,3-5,12H2,1-2H3,(H2,28,31)(H,30,32)/t21-,22-/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