Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'alcaide' and Initial = 'c'   

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
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176526 (6-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...) Show SMILES Oc1ccc2oc(=O)c(cc2c1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C15H10O5/c16-10-1-2-14-9(5-10)6-13(15(19)20-14)8-3-11(17)7-12(18)4-8/h1-7,16-18H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50176523 (6-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...) Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C18H16O5/c1-20-13-4-5-17-12(8-13)9-16(18(19)23-17)11-6-14(21-2)10-15(7-11)22-3/h4-10H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50176526 (6-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...) Show SMILES Oc1ccc2oc(=O)c(cc2c1)-c1cc(O)cc(O)c1 Show InChI InChI=1S/C15H10O5/c16-10-1-2-14-9(5-10)6-13(15(19)20-14)8-3-11(17)7-12(18)4-8/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176525 (7-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...) Show SMILES Oc1ccc2cc(-c3cc(O)cc(O)c3)c(=O)oc2c1 Show InChI InChI=1S/C15H10O5/c16-10-2-1-8-5-13(15(19)20-14(8)7-10)9-3-11(17)6-12(18)4-9/h1-7,16-18H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176528 (3-(3,5-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one...) Show SMILES COc1cc(OC)cc(c1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C17H14O5/c1-20-13-5-11(6-14(9-13)21-2)15-7-10-3-4-12(18)8-16(10)22-17(15)19/h3-9,18H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176523 (6-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...) Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C18H16O5/c1-20-13-4-5-17-12(8-13)9-16(18(19)23-17)11-6-14(21-2)10-15(7-11)22-3/h4-10H,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176522 (7-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...) Show SMILES COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C18H16O5/c1-20-13-5-4-11-8-16(18(19)23-17(11)10-13)12-6-14(21-2)9-15(7-12)22-3/h4-10H,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50176525 (7-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...) Show SMILES Oc1ccc2cc(-c3cc(O)cc(O)c3)c(=O)oc2c1 Show InChI InChI=1S/C15H10O5/c16-10-2-1-8-5-13(15(19)20-14(8)7-10)9-3-11(17)6-12(18)4-9/h1-7,16-18H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176527 (6,8-dihydroxy-3-(3',5'-dihydroxyphenyl)coumarin | ...) Show SMILES Oc1cc(O)cc(c1)-c1cc2cc(O)cc(O)c2oc1=O Show InChI InChI=1S/C15H10O6/c16-9-1-7(2-10(17)5-9)12-4-8-3-11(18)6-13(19)14(8)21-15(12)20/h1-6,16-19H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50176522 (7-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...) Show SMILES COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C18H16O5/c1-20-13-5-4-11-8-16(18(19)23-17(11)10-13)12-6-14(21-2)9-15(7-12)22-3/h4-10H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50176524 (6,8-dimethoxy-3-(3',5'-dimethoxyphenyl)coumarin | ...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cc(OC)cc(OC)c2oc1=O Show InChI InChI=1S/C19H18O6/c1-21-13-5-11(6-14(9-13)22-2)16-8-12-7-15(23-3)10-17(24-4)18(12)25-19(16)20/h5-10H,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Noradrenaline induced vasorelaxant activity in intact rat aortic rings				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50176524 (6,8-dimethoxy-3-(3',5'-dimethoxyphenyl)coumarin | ...) Show SMILES COc1cc(OC)cc(c1)-c1cc2cc(OC)cc(OC)c2oc1=O Show InChI InChI=1S/C19H18O6/c1-21-13-5-11(6-14(9-13)22-2)16-8-12-7-15(23-3)10-17(24-4)18(12)25-19(16)20/h5-10H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50176528 (3-(3,5-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one...) Show SMILES COc1cc(OC)cc(c1)-c1cc2ccc(O)cc2oc1=O Show InChI InChI=1S/C17H14O5/c1-20-13-5-11(6-14(9-13)21-2)15-7-10-3-4-12(18)8-16(10)22-17(15)19/h3-9,18H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50176527 (6,8-dihydroxy-3-(3',5'-dihydroxyphenyl)coumarin | ...) Show SMILES Oc1cc(O)cc(c1)-c1cc2cc(O)cc(O)c2oc1=O Show InChI InChI=1S/C15H10O6/c16-9-1-7(2-10(17)5-9)12-4-8-3-11(18)6-13(19)14(8)21-15(12)20/h1-6,16-19H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of thrombin-induced platelet aggregation in human				Bioorg Med Chem Lett 16: 257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.10.013 BindingDB Entry DOI: 10.7270/Q2SQ8ZXQ
					More data for this Ligand-Target Pair