Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50016030   

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))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	1.03E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of amyloid precursor protein 695 activity in CHO cells expressing human APP				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50164002 (4-Benzenesulfonyl-4-(2-methoxy-phenyl)-piperidine-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H25NO5S/c1-3-27-20(23)22-15-13-21(14-16-22,18-11-7-8-12-19(18)26-2)28(24,25)17-9-5-4-6-10-17/h4-12H,3,13-16H2,1-2H3	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	6.27E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	530	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro reduction of Swedish NL mutant amyloid precursor protein activity expressed in CHO cells				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163997 (4-(4-Methoxy-benzenesulfonyl)-4-phenyl-piperidine-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C21H25NO5S/c1-3-27-20(23)22-15-13-21(14-16-22,17-7-5-4-6-8-17)28(24,25)19-11-9-18(26-2)10-12-19/h4-12H,3,13-16H2,1-2H3	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	9.70E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	5.00E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 42 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM28960 ((2R)-2-{[5-chloro-2-(hydroxymethyl)phenyl](4-chlor...) Show SMILES CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H24Cl2N2O5S/c1-3-10-23-20(26)29-13-14(2)24(19-11-17(22)5-4-15(19)12-25)30(27,28)18-8-6-16(21)7-9-18/h4-9,11,14,25H,3,10,12-13H2,1-2H3,(H,23,26)/t14-/m1/s1	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	100	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163998 (4-(4-Methoxy-benzenesulfonyl)-4-o-tolyl-piperidine...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H27NO5S/c1-4-28-21(24)23-15-13-22(14-16-23,20-8-6-5-7-17(20)2)29(25,26)19-11-9-18(27-3)10-12-19/h5-12H,4,13-16H2,1-3H3	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	2.45E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163999 (4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3	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	3.70E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 42 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50164000 (4-(4-Methoxy-benzenesulfonyl)-4-(2-methoxy-phenyl)...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C22H27NO6S/c1-4-29-21(24)23-15-13-22(14-16-23,19-7-5-6-8-20(19)28-3)30(25,26)18-11-9-17(27-2)10-12-18/h5-12H,4,13-16H2,1-3H3	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	5.06E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	3.50E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM28961 (CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3	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	1.22E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163999 (4-(4-Chloro-benzenesulfonyl)-4-o-tolyl-piperidine-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO4S/c1-3-27-20(24)23-14-12-21(13-15-23,19-7-5-4-6-16(19)2)28(25,26)18-10-8-17(22)9-11-18/h4-11H,3,12-15H2,1-2H3	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	2.70E+3	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50163996 (4-(4-Chloro-benzenesulfonyl)-4-(2-methoxy-phenyl)-...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO5S/c1-3-28-20(24)23-14-12-21(13-15-23,18-6-4-5-7-19(18)27-2)29(25,26)17-10-8-16(22)9-11-17/h4-11H,3,12-15H2,1-2H3	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	640	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro elevation of beta C-terminal fragment (Ct-99) in CHO cells expressing mutant Swedish NL human APP				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50164001 (4-Benzenesulfonyl-4-o-tolyl-piperidine-1-carboxyli...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H25NO4S/c1-3-26-20(23)22-15-13-21(14-16-22,19-12-8-7-9-17(19)2)27(24,25)18-10-5-4-6-11-18/h4-12H,3,13-16H2,1-2H3	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	4.86E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 40 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM28961 (CHEMBL180641 | ethyl 4-[(4-chlorobenzene)sulfonyl]...) Show SMILES CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClNO4S/c1-2-26-19(23)22-14-12-20(13-15-22,16-6-4-3-5-7-16)27(24,25)18-10-8-17(21)9-11-18/h3-11H,2,12-15H2,1H3	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	2.09E+4	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro effective concentration against beta amyloid protein 42 in ELISA				Bioorg Med Chem Lett 15: 1891-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.006 BindingDB Entry DOI: 10.7270/Q2N879B4
					More data for this Ligand-Target Pair