Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'gayatri' and Initial = 'g'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316843 (2-Phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydro[...) Show SMILES C#CCOc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C19H16N2OS/c1-2-12-22-18-16-14-10-6-7-11-15(14)23-19(16)21-17(20-18)13-8-4-3-5-9-13/h1,3-5,8-9H,6-7,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316849 (2-(4-Fluorobenzyl)-5,6-dimethyl-3-prop-2-yn-1-ylth...) Show SMILES Cc1sc2nc(Cc3ccc(F)cc3)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C18H15FN2OS/c1-4-9-21-15(10-13-5-7-14(19)8-6-13)20-17-16(18(21)22)11(2)12(3)23-17/h1,5-8H,9-10H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316851 (2-Phenyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1 Show InChI InChI=1S/C18H14N2OS/c1-2-11-20-16(12-7-4-3-5-8-12)19-17-15(18(20)21)13-9-6-10-14(13)22-17/h1,3-5,7-8H,6,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316847 (2,5,6-Trimethyl-3-prop-2-yn-1-ylthieno[2,3-d]pyrim...) Show SMILES Cc1sc2nc(C)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C12H12N2OS/c1-5-6-14-9(4)13-11-10(12(14)15)7(2)8(3)16-11/h1H,6H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316850 (2-Methyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES Cc1nc2sc3CCCc3c2c(=O)n1CC#C Show InChI InChI=1S/C13H12N2OS/c1-3-7-15-8(2)14-12-11(13(15)16)9-5-4-6-10(9)17-12/h1H,4-7H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316845 (2-Methyl-3-prop-2-yn-1-yl-5, 6, 7, 8-tetrahydro [1...) Show SMILES Cc1nc2sc3CCCCc3c2c(=O)n1CC#C Show InChI InChI=1S/C14H14N2OS/c1-3-8-16-9(2)15-13-12(14(16)17)10-6-4-5-7-11(10)18-13/h1H,4-8H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316846 (2-(4-Fluorobenzyl)-3-prop-2-yn-1-yl-5,6,7,8-tetrah...) Show SMILES Fc1ccc(Cc2nc3sc4CCCCc4c3c(=O)n2CC#C)cc1 Show InChI InChI=1S/C20H17FN2OS/c1-2-11-23-17(12-13-7-9-14(21)10-8-13)22-19-18(20(23)24)15-5-3-4-6-16(15)25-19/h1,7-10H,3-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316850 (2-Methyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES Cc1nc2sc3CCCc3c2c(=O)n1CC#C Show InChI InChI=1S/C13H12N2OS/c1-3-7-15-8(2)14-12-11(13(15)16)9-5-4-6-10(9)17-12/h1H,4-7H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316846 (2-(4-Fluorobenzyl)-3-prop-2-yn-1-yl-5,6,7,8-tetrah...) Show SMILES Fc1ccc(Cc2nc3sc4CCCCc4c3c(=O)n2CC#C)cc1 Show InChI InChI=1S/C20H17FN2OS/c1-2-11-23-17(12-13-7-9-14(21)10-8-13)22-19-18(20(23)24)15-5-3-4-6-16(15)25-19/h1,7-10H,3-6,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316848 (5,6-Dimethyl-2-phenyl-3-prop-2-yn-1-ylthieno[2, 3-...) Show SMILES Cc1sc2nc(-c3ccccc3)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C17H14N2OS/c1-4-10-19-15(13-8-6-5-7-9-13)18-16-14(17(19)20)11(2)12(3)21-16/h1,5-9H,10H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316847 (2,5,6-Trimethyl-3-prop-2-yn-1-ylthieno[2,3-d]pyrim...) Show SMILES Cc1sc2nc(C)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C12H12N2OS/c1-5-6-14-9(4)13-11-10(12(14)15)7(2)8(3)16-11/h1H,6H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316849 (2-(4-Fluorobenzyl)-5,6-dimethyl-3-prop-2-yn-1-ylth...) Show SMILES Cc1sc2nc(Cc3ccc(F)cc3)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C18H15FN2OS/c1-4-9-21-15(10-13-5-7-14(19)8-6-13)20-17-16(18(21)22)11(2)12(3)23-17/h1,5-8H,9-10H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316851 (2-Phenyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1 Show InChI InChI=1S/C18H14N2OS/c1-2-11-20-16(12-7-4-3-5-8-12)19-17-15(18(20)21)13-9-6-10-14(13)22-17/h1,3-5,7-8H,6,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair