Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50303725'   

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 1 (Homo sapiens (Human))	BDBM50303725 (4-(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C#N)c(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C24H21N5O2/c1-15-11-18(8-9-21(15)31-3)24(22(30)29(2)23(26)28-24)19-7-6-16(13-25)20(12-19)17-5-4-10-27-14-17/h4-12,14H,1-3H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	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 based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303725 (4-(2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5...) Show SMILES COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C#N)c(c1)-c1cccnc1 |t:11| Show InChI InChI=1S/C24H21N5O2/c1-15-11-18(8-9-21(15)31-3)24(22(30)29(2)23(26)28-24)19-7-6-16(13-25)20(12-19)17-5-4-10-27-14-17/h4-12,14H,1-3H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
					More data for this Ligand-Target Pair