Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.4 BDBM50305473

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))	BDBM50305473 (CHEMBL594656 | N-(3-(2-amino-4-cyclohexyl-1-methyl...) Show SMILES COCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:15| Show InChI InChI=1S/C20H28N4O3/c1-24-18(26)20(23-19(24)21,14-7-4-3-5-8-14)15-9-6-10-16(13-15)22-17(25)11-12-27-2/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H2,21,23)(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+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))	BDBM50305473 (CHEMBL594656 | N-(3-(2-amino-4-cyclohexyl-1-methyl...) Show SMILES COCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:15| Show InChI InChI=1S/C20H28N4O3/c1-24-18(26)20(23-19(24)21,14-7-4-3-5-8-14)15-9-6-10-16(13-15)22-17(25)11-12-27-2/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H2,21,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 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