Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'andreu' and Initial = 'i'   

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
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089611 ((1-Benzyl-6-benzyloxy-7-methoxy-3,4-dihydro-1H-iso...) Show SMILES COc1cc2C(Cc3ccccc3)N(CCc2cc1OCc1ccccc1)P(=O)(OC(C)C)OC(C)C Show InChI InChI=1S/C30H38NO5P/c1-22(2)35-37(32,36-23(3)4)31-17-16-26-19-30(34-21-25-14-10-7-11-15-25)29(33-5)20-27(26)28(31)18-24-12-8-6-9-13-24/h6-15,19-20,22-23,28H,16-18,21H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089614 (1-Benzyl-6-benzyloxy-7-methoxy-2-methyl-1,2,3,4-te...) Show SMILES COc1cc2C(Cc3ccccc3)N(C)CCc2cc1OCc1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-26-14-13-21-16-25(28-18-20-11-7-4-8-12-20)24(27-2)17-22(21)23(26)15-19-9-5-3-6-10-19/h3-12,16-17,23H,13-15,18H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089613 (1-Benzyl-6-benzyloxy-7-methoxy-3,4-dihydro-isoquin...) Show SMILES COc1cc2C(Cc3ccccc3)=NCCc2cc1OCc1ccccc1 |c:13| Show InChI InChI=1S/C24H23NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16H,12-14,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099789 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Bos taurus)	BDBM50089612 (1-Benzyl-6-benzyloxy-7-methoxy-1,2,3,4-tetrahydro-...) Show SMILES COc1cc2C(Cc3ccccc3)NCCc2cc1OCc1ccccc1 Show InChI InChI=1S/C24H25NO2/c1-26-23-16-21-20(15-24(23)27-17-19-10-6-3-7-11-19)12-13-25-22(21)14-18-8-4-2-5-9-18/h2-11,15-16,22,25H,12-14,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibitory concentration against NADH oxidase				Bioorg Med Chem Lett 10: 1491-4 (2000) BindingDB Entry DOI: 10.7270/Q2736Q4K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099789 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099787 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099786 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099786 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099788 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099788 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099789 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099790 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099788 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099787 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099791 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099786 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099791 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake in rat striatal synaptosomes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099787 (5-Benzyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]iso...) Show SMILES C([C@H]1NCCc2cc3OCOc3cc12)c1ccccc1 Show InChI InChI=1S/C17H17NO2/c1-2-4-12(5-3-1)8-15-14-10-17-16(19-11-20-17)9-13(14)6-7-18-15/h1-5,9-10,15,18H,6-8,11H2/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099790 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-Raclopride binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099791 (1-Benzyl-2-propyl-1,2,3,4-tetrahydro-isoquinoline-...) Show SMILES CCCN1CCc2cc(O)c(O)cc2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C19H23NO2/c1-2-9-20-10-8-15-12-18(21)19(22)13-16(15)17(20)11-14-6-4-3-5-7-14/h3-7,12-13,17,21-22H,2,8-11H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50099790 (5-Benzyl-6-propyl-5,6,7,8-tetrahydro-[1,3]dioxolo[...) Show SMILES CCCN1CCc2cc3OCOc3cc2[C@H]1Cc1ccccc1 Show InChI InChI=1S/C20H23NO2/c1-2-9-21-10-8-16-12-19-20(23-14-22-19)13-17(16)18(21)11-15-6-4-3-5-7-15/h3-7,12-13,18H,2,8-11,14H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to the rat striatal membranes				J Med Chem 44: 1794-801 (2001) BindingDB Entry DOI: 10.7270/Q2SB4517
					More data for this Ligand-Target Pair