BDBM229982 US9556135, 180

SMILES: C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F

InChI Key: InChIKey=WPCLUBBPEIMAEU-VQTJNVASSA-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 = 229982   

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))	BDBM229982 (US9556135, 180) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C20H17F2N7O2S/c1-19(9-32(30,31)20(2,22)18(24)29-19)13-6-12(3-4-14(13)21)28-17-16-15(26-10-27-17)5-11(7-23)8-25-16/h3-6,8,10H,9H2,1-2H3,(H2,24,29)(H,26,27,28)/t19-,20+/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	6.55E+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))	BDBM229982 (US9556135, 180) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F |r,c:10| Show InChI InChI=1S/C20H17F2N7O2S/c1-19(9-32(30,31)20(2,22)18(24)29-19)13-6-12(3-4-14(13)21)28-17-16-15(26-10-27-17)5-11(7-23)8-25-16/h3-6,8,10H,9H2,1-2H3,(H2,24,29)(H,26,27,28)/t19-,20+/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	1.10	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