Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'vanzolini' and Initial = 'kl'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50427007 (CHEMBL2326855) Show SMILES CCOC(=O)c1cc2ccc(OCCN3CCCCC3)cc2oc1=O Show InChI InChI=1S/C19H23NO5/c1-2-23-18(21)16-12-14-6-7-15(13-17(14)25-19(16)22)24-11-10-20-8-4-3-5-9-20/h6-7,12-13H,2-5,8-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50135279 (CHEMBL3747521) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O4/c14-13-16-9-8(5-15-10(9)12(20)17-13)11(19)6-2-1-3-7(4-6)18(21)22/h1-5,15H,(H3,14,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Campinas Curated by ChEMBL					Assay Description Non-competitive inhibition of xanthine oxidase (unknown origin) by Lineweaver-Burk plot analysis				Bioorg Med Chem 24: 226-31 (2016) Article DOI: 10.1016/j.bmc.2015.12.006 BindingDB Entry DOI: 10.7270/Q2HX1FGM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50016784 (ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...) Show SMILES O=c1ncnc2[nH][nH]cc12 Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid UniChem Similars	DrugBank Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Campinas Curated by ChEMBL					Assay Description Non-competitive inhibition of xanthine oxidase (unknown origin) by Lineweaver-Burk plot analysis				Bioorg Med Chem 24: 226-31 (2016) Article DOI: 10.1016/j.bmc.2015.12.006 BindingDB Entry DOI: 10.7270/Q2HX1FGM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50427006 (CHEMBL2326854) Show SMILES O=C(NCCN1CCCCC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H20N2O3/c20-16(18-8-11-19-9-4-1-5-10-19)14-12-13-6-2-3-7-15(13)22-17(14)21/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50135279 (CHEMBL3747521) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O4/c14-13-16-9-8(5-15-10(9)12(20)17-13)11(19)6-2-1-3-7(4-6)18(21)22/h1-5,15H,(H3,14,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Campinas Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) using immobilized capillary enzyme reactor by on-flow bidimensional liquid chromatography				Bioorg Med Chem 24: 226-31 (2016) Article DOI: 10.1016/j.bmc.2015.12.006 BindingDB Entry DOI: 10.7270/Q2HX1FGM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50427007 (CHEMBL2326855) Show SMILES CCOC(=O)c1cc2ccc(OCCN3CCCCC3)cc2oc1=O Show InChI InChI=1S/C19H23NO5/c1-2-23-18(21)16-12-14-6-7-15(13-17(14)25-19(16)22)24-11-10-20-8-4-3-5-9-20/h6-7,12-13H,2-5,8-11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50427006 (CHEMBL2326854) Show SMILES O=C(NCCN1CCCCC1)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H20N2O3/c20-16(18-8-11-19-9-4-1-5-10-19)14-12-13-6-2-3-7-15(13)22-17(14)21/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de S£o Carlos Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus AChE using acetylcholine as substrate by Lineweaver-Burk plot method				J Med Chem 56: 2038-44 (2013) Article DOI: 10.1021/jm301732a BindingDB Entry DOI: 10.7270/Q2PZ5B5R
					More data for this Ligand-Target Pair