BDBM229990 US9556135, 157

SMILES: CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F

InChI Key: InChIKey=NHKCRUPPNKXUDV-QFIPXVFZSA-N

Data: 2 IC50

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 = 229990   

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
Cathepsin D (Homo sapiens (Human))	BDBM229990 (US9556135, 157) Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F |r,c:4| Show InChI InChI=1S/C22H19F3N6O2S/c1-21(2)20(26)31-22(10-23,11-34(21,32)33)15-7-12(4-5-16(15)24)30-19-18-14(17(25)9-29-19)6-13(27-3)8-28-18/h4-9H,10-11H2,1-2H3,(H2,26,31)(H,29,30)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.48E+4	n/a	n/a	n/a	n/a	3.5	n/a
Amgen, Inc. US Patent					Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM229990 (US9556135, 157) Show SMILES CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F |r,c:4| Show InChI InChI=1S/C22H19F3N6O2S/c1-21(2)20(26)31-22(10-23,11-34(21,32)33)15-7-12(4-5-16(15)24)30-19-18-14(17(25)9-29-19)6-13(27-3)8-28-18/h4-9H,10-11H2,1-2H3,(H2,26,31)(H,29,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...				US Patent US9556135 (2017) BindingDB Entry DOI: 10.7270/Q2X0691F
					More data for this Ligand-Target Pair