Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50109051'   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109051 (CHEMBL330529 | Methyl-[4-(6-methyl-benzothiazol-2-...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(C)cc2s1 Show InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003) Article DOI: 10.1021/jm030026b BindingDB Entry DOI: 10.7270/Q23R0S87
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109051 (CHEMBL330529 | Methyl-[4-(6-methyl-benzothiazol-2-...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(C)cc2s1 Show InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01619 BindingDB Entry DOI: 10.7270/Q2X92GCK
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50109051 (CHEMBL330529 | Methyl-[4-(6-methyl-benzothiazol-2-...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(C)cc2s1 Show InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Initial competitive binding studies using [3H]CG and synthetic Aβ(1-40) were conducted to determine if CG, ThS and ThT bound to the same site(s)...				US Patent US10137210 (2018) BindingDB Entry DOI: 10.7270/Q21C1ZXS
					More data for this Ligand-Target Pair