Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'iglesias' and Initial = 'a'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50441091 (CHEMBL2430438) Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc(cc2)-c2cnco2)CC1 Show InChI InChI=1S/C26H30N6O2/c1-33-25-7-3-2-6-24(25)31-16-14-30(15-17-31)12-4-5-13-32-19-23(28-29-32)21-8-10-22(11-9-21)26-18-27-20-34-26/h2-3,6-11,18-20H,4-5,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from cloned human dopamine D2 receptor				Bioorg Med Chem Lett 23: 5586-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.047 BindingDB Entry DOI: 10.7270/Q2KH0PR6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50441092 (CHEMBL2430439) Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2cccnc2)CC1 Show InChI InChI=1S/C22H28N6O/c1-29-22-9-3-2-8-21(22)27-15-13-26(14-16-27)11-4-5-12-28-18-20(24-25-28)19-7-6-10-23-17-19/h2-3,6-10,17-18H,4-5,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from cloned human dopamine D2 receptor				Bioorg Med Chem Lett 23: 5586-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.047 BindingDB Entry DOI: 10.7270/Q2KH0PR6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50441093 (CHEMBL2430440) Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc(N)cc2)CC1 Show InChI InChI=1S/C23H30N6O/c1-30-23-7-3-2-6-22(23)28-16-14-27(15-17-28)12-4-5-13-29-18-21(25-26-29)19-8-10-20(24)11-9-19/h2-3,6-11,18H,4-5,12-17,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from cloned human dopamine D2 receptor				Bioorg Med Chem Lett 23: 5586-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.047 BindingDB Entry DOI: 10.7270/Q2KH0PR6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50441094 (CHEMBL2430441) Show SMILES COc1ccc(cc1)-c1cn(CCCCN2CCN(CC2)c2ccccc2OC)nn1 Show InChI InChI=1S/C24H31N5O2/c1-30-21-11-9-20(10-12-21)22-19-29(26-25-22)14-6-5-13-27-15-17-28(18-16-27)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	212	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from cloned human dopamine D2 receptor				Bioorg Med Chem Lett 23: 5586-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.047 BindingDB Entry DOI: 10.7270/Q2KH0PR6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50441095 (CHEMBL2430442) Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccc(Br)cc2)CC1 Show InChI InChI=1S/C23H28BrN5O/c1-30-23-7-3-2-6-22(23)28-16-14-27(15-17-28)12-4-5-13-29-18-21(25-26-29)19-8-10-20(24)11-9-19/h2-3,6-11,18H,4-5,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	227	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from cloned human dopamine D2 receptor				Bioorg Med Chem Lett 23: 5586-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.047 BindingDB Entry DOI: 10.7270/Q2KH0PR6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50441096 (CHEMBL2430443) Show SMILES COc1ccccc1N1CCN(CCCCn2cc(nn2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H29N5O/c1-29-23-12-6-5-11-22(23)27-17-15-26(16-18-27)13-7-8-14-28-19-21(24-25-28)20-9-3-2-4-10-20/h2-6,9-12,19H,7-8,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from cloned human dopamine D2 receptor				Bioorg Med Chem Lett 23: 5586-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.047 BindingDB Entry DOI: 10.7270/Q2KH0PR6
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259706 (CHEMBL2313314) Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C12H10N2O4/c15-12(10-6-7-11(18-10)14(16)17)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259707 (CHEMBL4091464) Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C19H16N2O4/c22-19(17-11-12-18(25-17)21(23)24)20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259704 (CHEMBL4066587) Show SMILES CN(C)CCCNC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C10H15N3O4/c1-12(2)7-3-6-11-10(14)8-4-5-9(17-8)13(15)16/h4-5H,3,6-7H2,1-2H3,(H,11,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259705 (CHEMBL4088638) Show SMILES CCN(CC)CCCNC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C12H19N3O4/c1-3-14(4-2)9-5-8-13-12(16)10-6-7-11(19-10)15(17)18/h6-7H,3-5,8-9H2,1-2H3,(H,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.28E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259703 (CHEMBL4084206) Show SMILES CN(C)CCNC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C9H13N3O4/c1-11(2)6-5-10-9(13)7-3-4-8(16-7)12(14)15/h3-4H,5-6H2,1-2H3,(H,10,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259702 (CHEMBL4079787) Show SMILES CCCN(CCC)C(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C11H16N2O4/c1-3-7-12(8-4-2)11(14)9-5-6-10(17-9)13(15)16/h5-6H,3-4,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.83E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259710 (CHEMBL4071417) Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCCC1 Show InChI InChI=1S/C9H10N2O4/c12-9(10-5-1-2-6-10)7-3-4-8(15-7)11(13)14/h3-4H,1-2,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259708 (BAY-2502 | BAY-A2502 | BAYER-2502 | CHEBI:7566 | D...) Show SMILES CC1CS(=O)(=O)CCN1\N=C\c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259698 (CHEMBL4092991) Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCCCC1 Show InChI InChI=1S/C10H12N2O4/c13-10(11-6-2-1-3-7-11)8-4-5-9(16-8)12(14)15/h4-5H,1-3,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259709 (CHEMBL4061646) Show SMILES CC(C)(C)NC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C9H12N2O4/c1-9(2,3)10-8(12)6-4-5-7(15-6)11(13)14/h4-5H,1-3H3,(H,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259700 (CHEMBL4064356) Show SMILES CCCCNC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C9H12N2O4/c1-2-3-6-10-9(12)7-4-5-8(15-7)11(13)14/h4-5H,2-3,6H2,1H3,(H,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259699 (CHEMBL4079946) Show SMILES CCCNC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C8H10N2O4/c1-2-5-9-8(11)6-3-4-7(14-6)10(12)13/h3-4H,2,5H2,1H3,(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259711 (CHEMBL4092070) Show SMILES CC(C)NC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C8H10N2O4/c1-5(2)9-8(11)6-3-4-7(14-6)10(12)13/h3-5H,1-2H3,(H,9,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.14E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50259701 (CHEMBL4103302) Show SMILES CCC(C)NC(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C9H12N2O4/c1-3-6(2)10-9(12)7-4-5-8(15-7)11(13)14/h4-6H,3H2,1-2H3,(H,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.18E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional del Litoral Curated by ChEMBL					Assay Description Uncompetitive inhibition of Trypanosoma cruzi trypanothione reductase using T(SH)2 as substrate at pH 7.5 in presence of NADPH by photometric method				Eur J Med Chem 125: 1088-1097 (2017) Article DOI: 10.1016/j.ejmech.2016.10.055 BindingDB Entry DOI: 10.7270/Q2TM7DKH
					More data for this Ligand-Target Pair