BDBM234517 US9353089, 171

SMILES: COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1

InChI Key: InChIKey=IJSKTUPILCNGRO-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 = 234517   

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)	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	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)	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB UniProtKB/TrEMBL 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
Beta-secretase 1 (Homo sapiens (Human))	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.15E+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
Beta-secretase 1 (Homo sapiens (Human))	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.15E+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
Cathepsin E (Homo sapiens (Human))	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.01E+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 2 (Plasmodium falciparum)	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.97	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))	BDBM234517 (US9353089, 171) Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)	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	1.49E+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