Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50169351'   

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))	BDBM50169351 (CHEMBL3805852) Show SMILES COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27| Show InChI InChI=1S/C22H22F2N6O3S/c1-10-18(11(2)33-30-10)16-7-22(3,29-21(25)34-16)13-5-12(6-14(23)19(13)24)28-20(31)15-8-27-17(32-4)9-26-15/h5-6,8-9,16H,7H2,1-4H3,(H2,25,29)(H,28,31)/t16-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 29: 761-777 (2019) Article DOI: 10.1016/j.bmcl.2018.12.049 BindingDB Entry DOI: 10.7270/Q2S185SH
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Beta-secretase 1 (Homo sapiens (Human))	BDBM50169351 (CHEMBL3805852) Show SMILES COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27| Show InChI InChI=1S/C22H22F2N6O3S/c1-10-18(11(2)33-30-10)16-7-22(3,29-21(25)34-16)13-5-12(6-14(23)19(13)24)28-20(31)15-8-27-17(32-4)9-26-15/h5-6,8-9,16H,7H2,1-4H3,(H2,25,29)(H,28,31)/t16-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...				ACS Med Chem Lett 7: 271-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00432 BindingDB Entry DOI: 10.7270/Q2NS0WTZ
					More data for this Ligand-Target Pair