BDBM259002 US9499502, 9cw-a

SMILES: C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F

InChI Key: InChIKey=SSWZFIYACUIXCL-GOTSBHOMSA-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 = 259002   

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))	BDBM259002 (US9499502, 9cw-a) Show SMILES C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C23H21ClFN5O3S/c1-22(13-34(32,33)23(2,21(26)30-22)19-5-3-4-10-27-19)16-11-15(7-8-17(16)25)29-20(31)18-9-6-14(24)12-28-18/h3-12H,13H2,1-2H3,(H2,26,30)(H,29,31)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	-11.6	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))	BDBM259002 (US9499502, 9cw-a) Show SMILES C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C23H21ClFN5O3S/c1-22(13-34(32,33)23(2,21(26)30-22)19-5-3-4-10-27-19)16-11-15(7-8-17(16)25)29-20(31)18-9-6-14(24)12-28-18/h3-12H,13H2,1-2H3,(H2,26,30)(H,29,31)/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