BDBM234542 US9353089, 276

SMILES: COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1

InChI Key: InChIKey=AWHOQSPPRQUTAN-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 = 234542   

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))	BDBM234542 (US9353089, 276) Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1 |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C28H33N3O3/c1-33-23-7-3-21(4-8-23)28(22-5-9-24(34-2)10-6-22)25(32)31(26(29)30-28)17-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.85E+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)	BDBM234542 (US9353089, 276) Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1 |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15| Show InChI InChI=1S/C28H33N3O3/c1-33-23-7-3-21(4-8-23)28(22-5-9-24(34-2)10-6-22)25(32)31(26(29)30-28)17-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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