Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50398474'   

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))	BDBM50398474 (CHEMBL2179136) Show SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O5S/c1-6-23-19-36-12-13-42(40,41)35(5)27-16-24(15-26(23)29(27)36)30(38)34-25(14-22-10-8-7-9-11-22)18-32-28(21(4)37)31(39)33-17-20(2)3/h7-11,15-16,19-21,25,28,32,37H,6,12-14,17-18H2,1-5H3,(H,33,39)(H,34,38)/t21-,25-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f...				J Med Chem 55: 9195-207 (2012) Article DOI: 10.1021/jm3008823 BindingDB Entry DOI: 10.7270/Q23F4QT0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398474 (CHEMBL2179136) Show SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O5S/c1-6-23-19-36-12-13-42(40,41)35(5)27-16-24(15-26(23)29(27)36)30(38)34-25(14-22-10-8-7-9-11-22)18-32-28(21(4)37)31(39)33-17-20(2)3/h7-11,15-16,19-21,25,28,32,37H,6,12-14,17-18H2,1-5H3,(H,33,39)(H,34,38)/t21-,25-,28-/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of BACE1 in human neuroblastoma cells				J Med Chem 55: 9195-207 (2012) Article DOI: 10.1021/jm3008823 BindingDB Entry DOI: 10.7270/Q23F4QT0
					More data for this Ligand-Target Pair