Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50398680'   

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))	BDBM50398680 (CHEMBL2178150) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C24H20FN5OS/c1-29-22(31)20-12-30(19-7-5-18(25)6-8-19)14-24(20,28-23(29)27)21-10-17(13-32-21)16-4-2-3-15(9-16)11-26/h2-10,13,20H,12,14H2,1H3,(H2,27,28)/t20-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1				J Med Chem 55: 9331-45 (2012) Article DOI: 10.1021/jm301039c BindingDB Entry DOI: 10.7270/Q2JH3NB7
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398680 (CHEMBL2178150) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C24H20FN5OS/c1-29-22(31)20-12-30(19-7-5-18(25)6-8-19)14-24(20,28-23(29)27)21-10-17(13-32-21)16-4-2-3-15(9-16)11-26/h2-10,13,20H,12,14H2,1H3,(H2,27,28)/t20-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 expressed in HEK293 cells				J Med Chem 61: 10700-10708 (2018) Article DOI: 10.1021/acs.jmedchem.8b01326 BindingDB Entry DOI: 10.7270/Q2VX0K6D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398680 (CHEMBL2178150) Show SMILES CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3| Show InChI InChI=1S/C24H20FN5OS/c1-29-22(31)20-12-30(19-7-5-18(25)6-8-19)14-24(20,28-23(29)27)21-10-17(13-32-21)16-4-2-3-15(9-16)11-26/h2-10,13,20H,12,14H2,1H3,(H2,27,28)/t20-,24-/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	191	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293 cells				J Med Chem 55: 9331-45 (2012) Article DOI: 10.1021/jm301039c BindingDB Entry DOI: 10.7270/Q2JH3NB7
					More data for this Ligand-Target Pair