Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 315.4 BDBM50305482

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 2 (Homo sapiens (Human))	BDBM50305482 (2-amino-4-cyclohexyl-1-(3-hydroxypropyl)-4-phenyl-...) Show SMILES NC1=NC(C2CCCCC2)(C(=O)N1CCCO)c1ccccc1 |t:1| Show InChI InChI=1S/C18H25N3O2/c19-17-20-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16(23)21(17)12-7-13-22/h1,3-4,8-9,15,22H,2,5-7,10-13H2,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE2 by FRET assay				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50305482 (2-amino-4-cyclohexyl-1-(3-hydroxypropyl)-4-phenyl-...) Show SMILES NC1=NC(C2CCCCC2)(C(=O)N1CCCO)c1ccccc1 |t:1| Show InChI InChI=1S/C18H25N3O2/c19-17-20-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16(23)21(17)12-7-13-22/h1,3-4,8-9,15,22H,2,5-7,10-13H2,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human BACE1				Eur J Med Chem 46: 58-64 (2010) Article DOI: 10.1016/j.ejmech.2010.10.014 BindingDB Entry DOI: 10.7270/Q2P55PRK
					More data for this Ligand-Target Pair