Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'legnani' and Initial = 'l'   

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
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50216315 ((1R,4R)-2-(6-chloro-3-pyridinyl)-2,5-diazabicyclo[...) Show SMILES Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13| Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]cytosine form alpha4beta2 nAChR in rat striatum				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50275878 (3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...) Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10| Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50275880 (3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...) Show SMILES Brc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10| Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50275879 (3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...) Show SMILES C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0| Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50275932 (3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]...) Show SMILES Clc1ccc(nn1)N1CC2CC(C1)N2 |TLB:4:7:13:10| Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50275933 (3-(6-chloropyridin-3-yl)-6-methyl-3,6-diazabicyclo...) Show SMILES CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3| Show InChI InChI=1S/C11H14ClN3/c1-14-9-4-10(14)7-15(6-9)8-2-3-11(12)13-5-8/h2-3,5,9-10H,4,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50275931 (3-(4-nitrophenyl)-3,6-diazabicyclo[3.1.1]heptane |...) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CC2CC(C1)N2 |TLB:6:9:15:12| Show InChI InChI=1S/C11H13N3O2/c15-14(16)11-3-1-10(2-4-11)13-6-8-5-9(7-13)12-8/h1-4,8-9,12H,5-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine form alpha4beta2 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50275879 (3-(pyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane | ...) Show SMILES C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0| Show InChI InChI=1S/C10H13N3/c1-2-10(5-11-3-1)13-6-8-4-9(7-13)12-8/h1-3,5,8-9,12H,4,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50275878 (3-(6-chloropyridin-3-yl)-3,6-diazabicyclo[3.1.1]he...) Show SMILES Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10| Show InChI InChI=1S/C10H12ClN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50275933 (3-(6-chloropyridin-3-yl)-6-methyl-3,6-diazabicyclo...) Show SMILES CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3| Show InChI InChI=1S/C11H14ClN3/c1-14-9-4-10(14)7-15(6-9)8-2-3-11(12)13-5-8/h2-3,5,9-10H,4,6-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50275932 (3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]...) Show SMILES Clc1ccc(nn1)N1CC2CC(C1)N2 |TLB:4:7:13:10| Show InChI InChI=1S/C9H11ClN4/c10-8-1-2-9(13-12-8)14-4-6-3-7(5-14)11-6/h1-2,6-7,11H,3-5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50275880 (3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]hep...) Show SMILES Brc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10| Show InChI InChI=1S/C10H12BrN3/c11-10-2-1-9(4-12-10)14-5-7-3-8(6-14)13-7/h1-2,4,7-8,13H,3,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50275931 (3-(4-nitrophenyl)-3,6-diazabicyclo[3.1.1]heptane |...) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CC2CC(C1)N2 |TLB:6:9:15:12| Show InChI InChI=1S/C11H13N3O2/c15-14(16)11-3-1-10(2-4-11)13-6-8-5-9(7-13)12-8/h1-4,8-9,12H,5-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]alpha-bungarotoxin form alpha7 nAChR in rat cortex				Bioorg Med Chem Lett 18: 6147-50 (2008) Article DOI: 10.1016/j.bmcl.2008.10.002 BindingDB Entry DOI: 10.7270/Q29G5MPJ
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50371698 (CHEMBL408322 | US9149492, 1) Show SMILES CCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Milano Curated by ChEMBL					Assay Description Inhibition of human ACAT1 expressed in insect Hi5 cells				J Med Chem 51: 1474-7 (2008) Article DOI: 10.1021/jm701474c BindingDB Entry DOI: 10.7270/Q2WQ04N3
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50371699 (CHEMBL270041 | US9149492, 2) Show SMILES CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-10-17-21(23)22-20-16-12-11-15-19(20)18-13-8-7-9-14-18/h7-9,11-16H,2-6,10,17H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Milano Curated by ChEMBL					Assay Description Inhibition of human ACAT1 expressed in insect Hi5 cells				J Med Chem 51: 1474-7 (2008) Article DOI: 10.1021/jm701474c BindingDB Entry DOI: 10.7270/Q2WQ04N3
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50371698 (CHEMBL408322 | US9149492, 1) Show SMILES CCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H25NO/c1-2-3-4-5-9-16-20(22)21-19-15-11-10-14-18(19)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Milano Curated by ChEMBL					Assay Description Inhibition of human ACAT2 expressed in insect Hi5 cells				J Med Chem 51: 1474-7 (2008) Article DOI: 10.1021/jm701474c BindingDB Entry DOI: 10.7270/Q2WQ04N3
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50371699 (CHEMBL270041 | US9149492, 2) Show SMILES CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-2-3-4-5-6-10-17-21(23)22-20-16-12-11-15-19(20)18-13-8-7-9-14-18/h7-9,11-16H,2-6,10,17H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Milano Curated by ChEMBL					Assay Description Inhibition of human ACAT2 expressed in insect Hi5 cells				J Med Chem 51: 1474-7 (2008) Article DOI: 10.1021/jm701474c BindingDB Entry DOI: 10.7270/Q2WQ04N3
					More data for this Ligand-Target Pair