Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50046131   

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))	BDBM50095990 (CHEMBL3593282) Show SMILES [I-].CCCOc1ccc2S\C(=C/C=C/c3sc4ccccc4[n+]3CC)N(CC)c2c1 Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13+,14+,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50095989 (CHEMBL3593279) Show SMILES [I-].CCN1\C(Sc2ccc(Oc3no[n+]([O-])c3-c3ccccc3)cc12)=C\C=C\c1sc2ccccc2[n+]1CC Show InChI InChI=1S/C16H25N5O5/c1-2-3-4-5-6-25-16-19-13(17)10-14(20-16)21(8-18-10)15-12(24)11(23)9(7-22)26-15/h8-9,11-12,15,22-24H,2-7H2,1H3,(H2,17,19,20)/t9-,11+,12+,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM75309 ((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...) Show SMILES CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC Show InChI InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50095988 (CHEMBL3593278) Show SMILES [I-].CCN1\C(Sc2ccc(OCCCO[N+]([O-])=O)cc12)=C\C=C\c1sc2ccccc2[n+]1CC Show InChI InChI=1S/C15H23N5O5/c1-2-3-4-5-24-15-18-12(16)9-13(19-15)20(7-17-9)14-11(23)10(22)8(6-21)25-14/h7-8,10-11,14,21-23H,2-6H2,1H3,(H2,16,18,19)/t8-,10+,11+,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015) Article DOI: 10.1016/j.bmc.2015.05.050 BindingDB Entry DOI: 10.7270/Q29888RC
					More data for this Ligand-Target Pair