Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50457593'   

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))	BDBM50457593 (CHEMBL4203599) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 |r,c:28,t:22| Show InChI InChI=1S/C18H17F2N5O3/c1-18(6-11(7-19)28-17(21)25-18)12-5-10(3-4-13(12)20)24-16(26)14-8-23-15(27-2)9-22-14/h3-6,8-9H,7H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ...				J Med Chem 61: 5122-5137 (2018) Article DOI: 10.1021/acs.jmedchem.8b00002 BindingDB Entry DOI: 10.7270/Q27W6FSQ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50457593 (CHEMBL4203599) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 |r,c:28,t:22| Show InChI InChI=1S/C18H17F2N5O3/c1-18(6-11(7-19)28-17(21)25-18)12-5-10(3-4-13(12)20)24-16(26)14-8-23-15(27-2)9-22-14/h3-6,8-9H,7H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonism against Tachykinin receptor 2 in rat vas deferens(RVD)				Citation and Details
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50457593 (CHEMBL4203599) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 |r,c:28,t:22| Show InChI InChI=1S/C18H17F2N5O3/c1-18(6-11(7-19)28-17(21)25-18)12-5-10(3-4-13(12)20)24-16(26)14-8-23-15(27-2)9-22-14/h3-6,8-9H,7H2,1-2H3,(H2,21,25)(H,24,26)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 (43 to 545 residues) expressed in Escherichia coli BL21(DE3) using APP Swedish Lys-Met/Asn-Leu mutant as substr...				J Med Chem 61: 5122-5137 (2018) Article DOI: 10.1021/acs.jmedchem.8b00002 BindingDB Entry DOI: 10.7270/Q27W6FSQ
					More data for this Ligand-Target Pair