Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'jin' and Initial = 'lw'   

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))	BDBM50476303 (CHEMBL227521) Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1 Show InChI InChI=1S/C19H20FNO2/c1-21-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-20/h4-11,21H,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476296 (CHEMBL228033) Show SMILES CNc1ccc(cc1)C#Cc1ccc(O)cc1 Show InChI InChI=1S/C15H13NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h4-11,16-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476855 (CHEMBL232112) Show SMILES CNc1ccc(cc1)C#Cc1cnc(OCCO)c(Br)c1 Show InChI InChI=1S/C16H15BrN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h4-7,10-11,18,20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476293 (CHEMBL227495) Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1 Show InChI InChI=1S/C21H24FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h4-11,23H,12-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476287 (CHEMBL224096) Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1 Show InChI InChI=1S/C22H26FNO3/c1-24(2)21-9-5-19(6-10-21)3-4-20-7-11-22(12-8-20)27-18-17-26-16-15-25-14-13-23/h5-12H,13-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476298 (CHEMBL223285) Show SMILES COc1ccc(cc1)C#Cc1ccc(N)cc1 Show InChI InChI=1S/C15H13NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476299 (CHEMBL228034) Show SMILES COc1ccc(cc1)C#Cc1ccc(O)cc1 Show InChI InChI=1S/C15H12O2/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476292 (CHEMBL227577) Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCO)cc1 Show InChI InChI=1S/C19H21NO3/c1-20-18-8-4-16(5-9-18)2-3-17-6-10-19(11-7-17)23-15-14-22-13-12-21/h4-11,20-21H,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476301 (CHEMBL413436) Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1 Show InChI InChI=1S/C22H27NO4/c1-23(2)21-9-5-19(6-10-21)3-4-20-7-11-22(12-8-20)27-18-17-26-16-15-25-14-13-24/h5-12,24H,13-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476300 (CHEMBL389671) Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCO)cc1 Show InChI InChI=1S/C20H23NO3/c1-21(2)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-16-15-23-14-13-22/h5-12,22H,13-16H2,1-2H3	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
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476291 (CHEMBL227674) Show SMILES CNc1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1 Show InChI InChI=1S/C21H25NO4/c1-22-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-23/h4-11,22-23H,12-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476297 (CHEMBL227576) Show SMILES CN(C)c1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1 Show InChI InChI=1S/C20H22FNO2/c1-22(2)19-9-5-17(6-10-19)3-4-18-7-11-20(12-8-18)24-16-15-23-14-13-21/h5-12H,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476850 (CHEMBL232114) Show SMILES OCCOc1ncc(cc1I)C#Cc1ccc(O)cc1 Show InChI InChI=1S/C15H12INO3/c16-14-9-12(10-17-15(14)20-8-7-18)2-1-11-3-5-13(19)6-4-11/h3-6,9-10,18-19H,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476852 (CHEMBL231917) Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCO)c(Br)c1 Show InChI InChI=1S/C17H17BrN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h5-8,11-12,21H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476848 (CHEMBL231916) Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCO)c(I)c1 Show InChI InChI=1S/C17H17IN2O2/c1-20(2)15-7-5-13(6-8-15)3-4-14-11-16(18)17(19-12-14)22-10-9-21/h5-8,11-12,21H,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476853 (CHEMBL398059) Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(Br)c1 Show InChI InChI=1S/C21H24BrFN2O3/c1-25(2)19-7-5-17(6-8-19)3-4-18-15-20(22)21(24-16-18)28-14-13-27-12-11-26-10-9-23/h5-8,15-16H,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476288 (CHEMBL373663) Show SMILES Nc1ccc(cc1)C#Cc1ccc(OCCOCCF)cc1 Show InChI InChI=1S/C18H18FNO2/c19-11-12-21-13-14-22-18-9-5-16(6-10-18)2-1-15-3-7-17(20)8-4-15/h3-10H,11-14,20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476854 (CHEMBL232113) Show SMILES CNc1ccc(cc1)C#Cc1cnc(OCCO)c(I)c1 Show InChI InChI=1S/C16H15IN2O2/c1-18-14-6-4-12(5-7-14)2-3-13-10-15(17)16(19-11-13)21-9-8-20/h4-7,10-11,18,20H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476851 (CHEMBL231918) Show SMILES CNc1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(Br)c1 Show InChI InChI=1S/C20H22BrFN2O3/c1-23-18-6-4-16(5-7-18)2-3-17-14-19(21)20(24-15-17)27-13-12-26-11-10-25-9-8-22/h4-7,14-15,23H,8-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476849 (CHEMBL231915) Show SMILES CN(C)c1ccc(cc1)C#Cc1cnc(OCCOCCOCCF)c(I)c1 Show InChI InChI=1S/C21H24FIN2O3/c1-25(2)19-7-5-17(6-8-19)3-4-18-15-20(23)21(24-16-18)28-14-13-27-12-11-26-10-9-22/h5-8,15-16H,9-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from beta amyloid plaque in human brain homogenates				Bioorg Med Chem Lett 17: 3581-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2DQX
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476302 (CHEMBL227751) Show SMILES Oc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1 Show InChI InChI=1S/C20H21FO4/c21-11-12-23-13-14-24-15-16-25-20-9-5-18(6-10-20)2-1-17-3-7-19(22)8-4-17/h3-10,22H,11-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476286 (CHEMBL226610) Show SMILES Nc1ccc(cc1)C#Cc1ccc(OCCOCCOCCF)cc1 Show InChI InChI=1S/C20H22FNO3/c21-11-12-23-13-14-24-15-16-25-20-9-5-18(6-10-20)2-1-17-3-7-19(22)8-4-17/h3-10H,11-16,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476294 (CHEMBL227752) Show SMILES Nc1ccc(cc1)C#Cc1ccc(OCCOCCOCCO)cc1 Show InChI InChI=1S/C20H23NO4/c21-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)25-16-15-24-14-13-23-12-11-22/h3-10,22H,11-16,21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476290 (CHEMBL227625) Show SMILES Nc1ccc(cc1)C#Cc1ccc(N)cc1 Show InChI InChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476295 (CHEMBL373548) Show SMILES Nc1ccc(cc1)C#Cc1ccc(O)cc1 Show InChI InChI=1S/C14H11NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,16H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50476289 (CHEBI:51579 | DIPHENYLACETYLENE) Show SMILES c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IMPY from human beta amyloid plaque in brain homogenates				J Med Chem 50: 2415-23 (2007) Article DOI: 10.1021/jm070090j BindingDB Entry DOI: 10.7270/Q2S46VS2
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50046523 (CHEMBL495039) Show SMILES COc1cc(NCCCN)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H22F3N3O2/c1-13-7-10-27-19-16(26-9-4-8-25)12-17(28-2)20(18(13)19)29-15-6-3-5-14(11-15)21(22,23)24/h3,5-7,10-12,26H,4,8-9,25H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50005944 (2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...) Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay				J Med Chem 55: 8969-73 (2012) Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50397451 (CHEMBL2170736) Show SMILES CC(CNCc1ccc(O)cc1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:16| Show InChI InChI=1S/C23H27NO4/c1-14(12-24-13-16-3-7-19(25)8-4-16)17-5-6-18-10-20-22(28-21(18)11-17)9-15(2)27-23(20)26/h3-4,7-10,14,17,21,24-25H,5-6,11-13H2,1-2H3/t14?,17-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay				J Med Chem 55: 8969-73 (2012) Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50397448 (CHEMBL2170728) Show SMILES CC(CNCc1ccc(O)c2ccccc12)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:21| Show InChI InChI=1S/C27H29NO4/c1-16(14-28-15-20-9-10-24(29)22-6-4-3-5-21(20)22)18-7-8-19-12-23-26(32-25(19)13-18)11-17(2)31-27(23)30/h3-6,9-12,16,18,25,28-29H,7-8,13-15H2,1-2H3/t16?,18-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Kansas State University Curated by ChEMBL					Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay				J Med Chem 55: 8969-73 (2012) Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50397452 (CHEMBL520938) Show SMILES CC(Cn1cnc(N)c2ncnc12)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:18| Show InChI InChI=1S/C21H23N5O3/c1-11(8-26-10-25-19(22)18-20(26)24-9-23-18)13-3-4-14-6-15-17(29-16(14)7-13)5-12(2)28-21(15)27/h5-6,9-11,13,16H,3-4,7-8,22H2,1-2H3/t11?,13-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay				J Med Chem 55: 8969-73 (2012) Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50397450 (CHEMBL2170821) Show SMILES CC(CNCc1ccc(CO)cc1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:17| Show InChI InChI=1S/C24H29NO4/c1-15(12-25-13-17-3-5-18(14-26)6-4-17)19-7-8-20-10-21-23(29-22(20)11-19)9-16(2)28-24(21)27/h3-6,9-10,15,19,22,25-26H,7-8,11-14H2,1-2H3/t15?,19-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay				J Med Chem 55: 8969-73 (2012) Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50397449 (CHEMBL2170832) Show SMILES CC(CNCc1ccc(O)c(F)c1)[C@H]1CCC2=Cc3c(O[C@H]2C1)cc(C)oc3=O |r,t:17| Show InChI InChI=1S/C23H26FNO4/c1-13(11-25-12-15-3-6-20(26)19(24)8-15)16-4-5-17-9-18-22(29-21(17)10-16)7-14(2)28-23(18)27/h3,6-9,13,16,21,25-26H,4-5,10-12H2,1-2H3/t13?,16-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of ACAT activity in human MC65 cells using NBD-cholesterol staining after 48 hrs by fluorescence assay				J Med Chem 55: 8969-73 (2012) Article DOI: 10.1021/jm3012189 BindingDB Entry DOI: 10.7270/Q2000370
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50046524 (CHEMBL3311235) Show SMILES COc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O3/c1-15-10-11-29-23-20(30-14-16-6-8-18(31)9-7-16)13-21(32-2)24(22(15)23)33-19-5-3-4-17(12-19)25(26,27)28/h3-13,30-31H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50046525 (CHEMBL3311239) Show SMILES COc1cc(NCc2cccc3cccnc23)c2nccc(C)c2c1Oc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N3O2/c1-17-11-13-33-26-22(34-16-19-7-3-6-18-8-5-12-32-25(18)19)15-23(35-2)27(24(17)26)36-21-10-4-9-20(14-21)28(29,30)31/h3-15,34H,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50046526 (CHEMBL3311242) Show SMILES Cc1ccnc2c(NCc3ccc(O)cc3)cc(O)c(Oc3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C24H19F3N2O3/c1-14-9-10-28-22-19(29-13-15-5-7-17(30)8-6-15)12-20(31)23(21(14)22)32-18-4-2-3-16(11-18)24(25,26)27/h2-12,29-31H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kansas State University Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) assessed as luminescence intensity by luminometry				Bioorg Med Chem Lett 24: 3392-7 (2014) Article DOI: 10.1016/j.bmcl.2014.05.085 BindingDB Entry DOI: 10.7270/Q2T72K25
					More data for this Ligand-Target Pair