BDBM229389 US9556135, 131

SMILES: C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F

InChI Key: InChIKey=AHIGVHHQOKEZTN-PKOBYXMFSA-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 = 229389   

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))	BDBM229389 (US9556135, 131) Show SMILES C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C20H19ClF2N4O3S/c1-19(17(23)31(29,30)20(7-2-8-20)18(24)27-19)13-9-12(4-5-14(13)22)26-16(28)15-6-3-11(21)10-25-15/h3-6,9-10,17H,2,7-8H2,1H3,(H2,24,27)(H,26,28)/t17-,19+/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	1.62E+5	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))	BDBM229389 (US9556135, 131) Show SMILES C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C20H19ClF2N4O3S/c1-19(17(23)31(29,30)20(7-2-8-20)18(24)27-19)13-9-12(4-5-14(13)22)26-16(28)15-6-3-11(21)10-25-15/h3-6,9-10,17H,2,7-8H2,1H3,(H2,24,27)(H,26,28)/t17-,19+/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	1.60	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