Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50004320   

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))	BDBM50481609 (CHEMBL610504) Show SMILES CN1C(=O)c2ccc(Nc3ccc(I)cc3)cc2C1=O Show InChI InChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481608 (CHEMBL598081) Show SMILES CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O Show InChI InChI=1S/C15H11BrN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481605 (CHEMBL598288) Show SMILES CN1C(=O)c2ccc(Nc3ccc(C)cc3)cc2C1=O Show InChI InChI=1S/C16H14N2O2/c1-10-3-5-11(6-4-10)17-12-7-8-13-14(9-12)16(20)18(2)15(13)19/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481604 (CHEMBL610505) Show SMILES CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O Show InChI InChI=1S/C15H12N2O2/c1-17-14(18)12-8-7-11(9-13(12)15(17)19)16-10-5-3-2-4-6-10/h2-9,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481606 (CHEMBL598082) Show SMILES COc1ccc(Nc2ccc3C(=O)N(C)C(=O)c3c2)cc1 Show InChI InChI=1S/C16H14N2O3/c1-18-15(19)13-8-5-11(9-14(13)16(18)20)17-10-3-6-12(21-2)7-4-10/h3-9,17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481607 (CHEMBL598083) Show SMILES CN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O Show InChI InChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50122787 (2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...) Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1 Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50100134 (2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiaz...) Show SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C Show InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50129793 (2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...) Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50079267 (Congo Red | Direct red 28 | Kongorot | Sodium diph...) Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50040929 (4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...) Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12 Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50040923 (2-Methyl-5,6-bis-phenylamino-isoindole-1,3-dione |...) Show SMILES CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O Show InChI InChI=1S/C21H17N3O2/c1-24-20(25)16-12-18(22-14-8-4-2-5-9-14)19(13-17(16)21(24)26)23-15-10-6-3-7-11-15/h2-13,22-23H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481603 (CHEMBL607562) Show SMILES CN1C(=O)c2ccc(Nc3ccc([125I])cc3)cc2C1=O Show InChI InChI=1S/C15H11IN2O2/c1-18-14(19)12-7-6-11(8-13(12)15(18)20)17-10-4-2-9(16)3-5-10/h2-8,17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Displacement of [125I-N-Methyl-4-(4-bromoanilino)phthalimide from beta-amyloid plaques isolated from Alzheimer's disease patient brain				Bioorg Med Chem 18: 1337-43 (2010) Article DOI: 10.1016/j.bmc.2009.12.023 BindingDB Entry DOI: 10.7270/Q2445Q9V
					More data for this Ligand-Target Pair