BDBM234520 US9353089, 176

SMILES: COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1

InChI Key: InChIKey=JQYYZEGXJPYRRZ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 234520   

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
Plasmepsin 2 (Plasmodium falciparum)	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin 4 (PM-IV) (Plasmodium falciparum)	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	4.0	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	4.0	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	511	n/a	n/a	n/a	n/a	4.0	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.81	n/a	n/a	n/a	n/a	4.5	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM234520 (US9353089, 176) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)	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	>1.00E+4	n/a	n/a	n/a	n/a	4.0	25
Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences US Patent					Assay Description The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...				US Patent US9353089 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WP6
					More data for this Ligand-Target Pair