Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50393096'   

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))	BDBM50393096 (CHEMBL2152911 | US9346827, 15) Show SMILES CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25| Show InChI InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	4.2	n/a
Amgen Inc. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US9346827 (2016) BindingDB Entry DOI: 10.7270/Q2RN36Q1
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393096 (CHEMBL2152911 | US9346827, 15) Show SMILES CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25| Show InChI InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				ACS Med Chem Lett 3: 873-874 (2012) Article DOI: 10.1021/ml300323y BindingDB Entry DOI: 10.7270/Q20C4WVW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50393096 (CHEMBL2152911 | US9346827, 15) Show SMILES CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25| Show InChI InChI=1S/C27H27F2N3O3/c1-26(2,3)14-34-17-12-20-24(21(28)13-17)35-22-7-6-16(18-5-4-9-31-25(18)29)11-19(22)27(20)15-33-10-8-23(30)32-27/h4-7,9,11-13H,8,10,14-15H2,1-3H3,(H2,30,32)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in HEK cells by cell-based assay				ACS Med Chem Lett 3: 873-874 (2012) Article DOI: 10.1021/ml300323y BindingDB Entry DOI: 10.7270/Q20C4WVW
					More data for this Ligand-Target Pair