Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50231691'   

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))	BDBM50231691 (CHEMBL402120 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...) Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 1011-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.017 BindingDB Entry DOI: 10.7270/Q2PG1SK5
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50231691 (CHEMBL402120 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...) Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1 Show InChI InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 18: 1017-21 (2008) Article DOI: 10.1016/j.bmcl.2007.12.019 BindingDB Entry DOI: 10.7270/Q2J67GP2
					More data for this Ligand-Target Pair