BDBM234551 US9353089, 324

SMILES: COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1

InChI Key: InChIKey=ZJGDHDGFYURDGA-UHFFFAOYSA-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 = 234551   

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 II (Plasmodium falciparum)	BDBM234551 (US9353089, 324) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	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))	BDBM234551 (US9353089, 324) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.46E+3	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 II (Plasmodium falciparum)	BDBM234551 (US9353089, 324) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	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))	BDBM234551 (US9353089, 324) Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1 Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.46E+3	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