BDBM234567 US9353089, 305

SMILES: COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1

InChI Key: InChIKey=YZQVDBNBXVVWJA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 234567   

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))	BDBM234567 (US9353089, 305) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H22N4O3/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(30)29(24(27)28-25)16-18-6-4-3-5-17(18)15-26/h3-14H,16H2,1-2H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70E+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)	BDBM234567 (US9353089, 305) Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H22N4O3/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(30)29(24(27)28-25)16-18-6-4-3-5-17(18)15-26/h3-14H,16H2,1-2H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	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