Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50031021   

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))	BDBM50305469 (CHEMBL590830 | N-(3-(2-amino-4-cyclohexyl-1-methyl...) Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 |c:3| Show InChI InChI=1S/C22H26N4O3/c1-14-11-12-29-18(14)19(27)24-17-10-6-9-16(13-17)22(15-7-4-3-5-8-15)20(28)26(2)21(23)25-22/h6,9-13,15H,3-5,7-8H2,1-2H3,(H2,23,25)(H,24,27)	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	n/a	n/a	180	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50300710 (8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrim...) Show SMILES NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 |t:1,4| Show InChI InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50305483 (2-amino-4,4-dicyclohexyl-1-methyl-1H-imidazol-5(4H...) Show SMILES CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O |c:3| Show InChI InChI=1S/C16H27N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50305467 (2-amino-4-cyclohexyl-1-methyl-4-phenyl-1H-imidazol...) Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:3| Show InChI InChI=1S/C16H21N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H2,17,18)	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	n/a	n/a	810	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50300229 (1-methyl-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-am...) Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:3| Show InChI InChI=1S/C16H15N3O/c1-19-14(20)16(18-15(19)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant APP expressed in CHO-K1 cells assessed as reduction of amyloid beta level by ELISA				Bioorg Med Chem Lett 20: 632-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.052 BindingDB Entry DOI: 10.7270/Q20Z73BN
					More data for this Ligand-Target Pair