BDBM171528 US9085576, 162::US9611261, Example 162

SMILES: C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C

InChI Key: InChIKey=JHAMOFBHPBZXSW-YUURZZLOSA-N

Data: 4 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 4 hits for monomerid = 171528   

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))	BDBM171528 (US9085576, 162 | US9611261, Example 162) Show SMILES C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C |r,t:22| Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13-,16+,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	4.2	n/a
AMGEN INC. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM171528 (US9085576, 162 | US9611261, Example 162) Show SMILES C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C |r,t:22| Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13-,16+,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.06E+6	n/a	n/a	n/a	n/a	n/a	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 US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM171528 (US9085576, 162 | US9611261, Example 162) Show SMILES C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C |r,t:22| Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13-,16+,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9611261 (2017) BindingDB Entry DOI: 10.7270/Q21J9CW2
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM171528 (US9085576, 162 | US9611261, Example 162) Show SMILES C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C |r,t:22| Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13-,16+,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.06E+6	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 US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair