BDBM171480 US9085576, 114::US9611261, Example 114

SMILES: NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F

InChI Key: InChIKey=BVHNKBRBVUXFFK-IGCJTQIZSA-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 = 171480   

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))	BDBM171480 (US9085576, 114 | US9611261, Example 114) Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1| Show InChI InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/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	9.80	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))	BDBM171480 (US9085576, 114 | US9611261, Example 114) Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1| Show InChI InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/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	1.59E+5	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))	BDBM171480 (US9085576, 114 | US9611261, Example 114) Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1| Show InChI InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/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	9.80	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))	BDBM171480 (US9085576, 114 | US9611261, Example 114) Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1| Show InChI InChI=1S/C17H12ClF6N5O2/c18-8-4-29(15(23)24)28-12(8)13(30)26-5-1-7(11(20)9(19)2-5)17(14(21)22)6-3-10(6)31-16(25)27-17/h1-2,4,6,10,14-15H,3H2,(H2,25,27)(H,26,30)/t6-,10+,17-/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	1.59E+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 US9085576 (2015) BindingDB Entry DOI: 10.7270/Q2CF9NWF
					More data for this Ligand-Target Pair