Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'luthra' and Initial = 'pm'   

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 (Homo sapiens (Human))	BDBM50493155 (CHEMBL2419148) Show SMILES CCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C13H10FN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.000590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493144 (CHEMBL2419144) Show SMILES Fc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10FN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.000630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493151 (CHEMBL2419139) Show SMILES CCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N Show InChI InChI=1S/C13H10BrN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.000740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493145 (CHEMBL2419149) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10BrN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493144 (CHEMBL2419144) Show SMILES Fc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10FN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315548 (8-(2-Thioxo-7(3-m-iodophenyl)-2-(2-furyl)thiazolo[...) Show SMILES Ic1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8IN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493151 (CHEMBL2419139) Show SMILES CCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N Show InChI InChI=1S/C13H10BrN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315541 (8-(2-Thioxo-7(3-allyl)-2-(2-furyl)thiazole[4,3-e]1...) Show SMILES C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H9N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h2-4,6-7H,1,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493157 (CHEMBL2419146) Show SMILES CCCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C15H14FN3S2/c1-2-3-8-19-14(13(9-17)21-15(19)20)18-10-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3/b18-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493154 (CHEMBL2419147) Show SMILES CCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C14H12FN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315544 (8-(2-Thioxo-7(3-p-chlorophenyl.)-2-(2-furyl)thiazo...) Show SMILES Clc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315545 (8-(2-Thioxo-7(3-m-chlorophenyl)-2-(2-furyl)thiazol...) Show SMILES Clc1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493156 (CHEMBL2419150) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1 Show InChI InChI=1S/C19H14BrN3S2/c20-16-8-6-15(7-9-16)13-22-18-17(12-21)25-19(24)23(18)11-10-14-4-2-1-3-5-14/h1-9,13H,10-11H2/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315538 (8-(2-Thioxo-7(3-ethyl)-2-(2-furyl)thiazolo[4,3-e]1...) Show SMILES CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C12H9N5OS2/c1-2-16-10-8(20-12(16)19)11-14-9(7-4-3-5-18-7)15-17(11)6-13-10/h3-6H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493148 (CHEMBL2419137) Show SMILES CCCCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N Show InChI InChI=1S/C15H14BrN3S2/c1-2-3-8-19-14(13(9-17)21-15(19)20)18-10-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3/b18-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315540 (8-(2-Thioxo-7(3-butyl)-2-(2-furyl),thiazolo,[4,3-e...) Show SMILES CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11(9-5-4-7-20-9)17-19(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493150 (CHEMBL2419140) Show SMILES Clc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10ClN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315544 (8-(2-Thioxo-7(3-p-chlorophenyl.)-2-(2-furyl)thiazo...) Show SMILES Clc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315545 (8-(2-Thioxo-7(3-m-chlorophenyl)-2-(2-furyl)thiazol...) Show SMILES Clc1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8ClN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493156 (CHEMBL2419150) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1 Show InChI InChI=1S/C19H14BrN3S2/c20-16-8-6-15(7-9-16)13-22-18-17(12-21)25-19(24)23(18)11-10-14-4-2-1-3-5-14/h1-9,13H,10-11H2/b22-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315539 (8-(2-Thioxo-7(3-propyl)-2-(2-furyl)thiazolo[4,3-e]...) Show SMILES CCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H11N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h3-4,6-7H,2,5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315546 (8-(2-Thioxo-7(3-o-iodophenyl)-2-(2-furyl)thiazolo[...) Show SMILES Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 |(-4.9,-21.48,;-6.44,-21.47,;-7.21,-20.13,;-8.75,-20.12,;-9.52,-21.46,;-8.75,-22.79,;-7.22,-22.79,;-6.46,-24.12,;-4.99,-24.61,;-3.66,-23.84,;-2.32,-24.6,;-2.32,-26.15,;-1.17,-27.19,;-1.8,-28.6,;-3.34,-28.43,;-3.66,-26.92,;-4.99,-26.15,;-6.46,-26.63,;-7.37,-25.38,;-8.91,-25.37,;-.91,-29.85,;.63,-29.86,;1.09,-31.33,;-.17,-32.22,;-1.41,-31.31,)| Show InChI InChI=1S/C16H8IN5OS2/c17-9-4-1-2-5-10(9)22-14-12(25-16(22)24)15-19-13(11-6-3-7-23-11)20-21(15)8-18-14/h1-8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315547 (8-(2-Thioxo-7(3-p-iodophenyl)-2-(2-furyl)thiazolo[...) Show SMILES Ic1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8IN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315546 (8-(2-Thioxo-7(3-o-iodophenyl)-2-(2-furyl)thiazolo[...) Show SMILES Ic1ccccc1-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 |(-4.9,-21.48,;-6.44,-21.47,;-7.21,-20.13,;-8.75,-20.12,;-9.52,-21.46,;-8.75,-22.79,;-7.22,-22.79,;-6.46,-24.12,;-4.99,-24.61,;-3.66,-23.84,;-2.32,-24.6,;-2.32,-26.15,;-1.17,-27.19,;-1.8,-28.6,;-3.34,-28.43,;-3.66,-26.92,;-4.99,-26.15,;-6.46,-26.63,;-7.37,-25.38,;-8.91,-25.37,;-.91,-29.85,;.63,-29.86,;1.09,-31.33,;-.17,-32.22,;-1.41,-31.31,)| Show InChI InChI=1S/C16H8IN5OS2/c17-9-4-1-2-5-10(9)22-14-12(25-16(22)24)15-19-13(11-6-3-7-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315542 (8-(2-Thioxo-7(3-phenyl)-2-(2-furyl)thiazolo[4,3-e]...) Show SMILES S=c1sc2c(ncn3nc(nc23)-c2ccco2)n1-c1ccccc1 Show InChI InChI=1S/C16H9N5OS2/c23-16-21(10-5-2-1-3-6-10)14-12(24-16)15-18-13(11-7-4-8-22-11)19-20(15)9-17-14/h1-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493152 (CHEMBL2419143) Show SMILES CCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N Show InChI InChI=1S/C13H10ClN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493147 (CHEMBL2419138) Show SMILES CCCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N Show InChI InChI=1S/C14H12BrN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315543 (8-(2-Thioxo-7(3-p fluorophenyl)-2-(2-furyl)thiazol...) Show SMILES Fc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8FN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493153 (CHEMBL2419142) Show SMILES CCCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N Show InChI InChI=1S/C14H12ClN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493149 (CHEMBL2419145) Show SMILES Fc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1 Show InChI InChI=1S/C19H14FN3S2/c20-16-8-6-15(7-9-16)13-22-18-17(12-21)25-19(24)23(18)11-10-14-4-2-1-3-5-14/h1-9,13H,10-11H2/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315548 (8-(2-Thioxo-7(3-m-iodophenyl)-2-(2-furyl)thiazolo[...) Show SMILES Ic1cccc(c1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8IN5OS2/c17-9-3-1-4-10(7-9)22-14-12(25-16(22)24)15-19-13(11-5-2-6-23-11)20-21(15)8-18-14/h1-8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315543 (8-(2-Thioxo-7(3-p fluorophenyl)-2-(2-furyl)thiazol...) Show SMILES Fc1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8FN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315538 (8-(2-Thioxo-7(3-ethyl)-2-(2-furyl)thiazolo[4,3-e]1...) Show SMILES CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C12H9N5OS2/c1-2-16-10-8(20-12(16)19)11-14-9(7-4-3-5-18-7)15-17(11)6-13-10/h3-6H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315547 (8-(2-Thioxo-7(3-p-iodophenyl)-2-(2-furyl)thiazolo[...) Show SMILES Ic1ccc(cc1)-n1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C16H8IN5OS2/c17-9-3-5-10(6-4-9)22-14-12(25-16(22)24)15-19-13(11-2-1-7-23-11)20-21(15)8-18-14/h1-8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493148 (CHEMBL2419137) Show SMILES CCCCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N Show InChI InChI=1S/C15H14BrN3S2/c1-2-3-8-19-14(13(9-17)21-15(19)20)18-10-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3/b18-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493146 (CHEMBL2419141) Show SMILES CCCCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N Show InChI InChI=1S/C15H14ClN3S2/c1-2-3-8-19-14(13(9-17)21-15(19)20)18-10-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3/b18-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493155 (CHEMBL2419148) Show SMILES CCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C13H10FN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493157 (CHEMBL2419146) Show SMILES CCCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C15H14FN3S2/c1-2-3-8-19-14(13(9-17)21-15(19)20)18-10-11-4-6-12(16)7-5-11/h4-7,10H,2-3,8H2,1H3/b18-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315541 (8-(2-Thioxo-7(3-allyl)-2-(2-furyl)thiazole[4,3-e]1...) Show SMILES C=CCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H9N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h2-4,6-7H,1,5H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493152 (CHEMBL2419143) Show SMILES CCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N Show InChI InChI=1S/C13H10ClN3S2/c1-2-17-12(11(7-15)19-13(17)18)16-8-9-3-5-10(14)6-4-9/h3-6,8H,2H2,1H3/b16-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315542 (8-(2-Thioxo-7(3-phenyl)-2-(2-furyl)thiazolo[4,3-e]...) Show SMILES S=c1sc2c(ncn3nc(nc23)-c2ccco2)n1-c1ccccc1 Show InChI InChI=1S/C16H9N5OS2/c23-16-21(10-5-2-1-3-6-10)14-12(24-16)15-18-13(11-7-4-8-22-11)19-20(15)9-17-14/h1-9H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493153 (CHEMBL2419142) Show SMILES CCCn1c(\N=C\c2ccc(Cl)cc2)c(sc1=S)C#N Show InChI InChI=1S/C14H12ClN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493154 (CHEMBL2419147) Show SMILES CCCn1c(\N=C\c2ccc(F)cc2)c(sc1=S)C#N Show InChI InChI=1S/C14H12FN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315540 (8-(2-Thioxo-7(3-butyl)-2-(2-furyl),thiazolo,[4,3-e...) Show SMILES CCCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C14H13N5OS2/c1-2-3-6-18-12-10(22-14(18)21)13-16-11(9-5-4-7-20-9)17-19(13)8-15-12/h4-5,7-8H,2-3,6H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493145 (CHEMBL2419149) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10BrN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50315539 (8-(2-Thioxo-7(3-propyl)-2-(2-furyl)thiazolo[4,3-e]...) Show SMILES CCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H11N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h3-4,6-7H,2,5H2,1H3	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
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493150 (CHEMBL2419140) Show SMILES Clc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10ClN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	413	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay				Bioorg Med Chem 18: 2491-500 (2010) Article DOI: 10.1016/j.bmc.2010.02.048 BindingDB Entry DOI: 10.7270/Q27W6D57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50493147 (CHEMBL2419138) Show SMILES CCCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N Show InChI InChI=1S/C14H12BrN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	607	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting				Bioorg Med Chem 21: 6077-83 (2013) Article DOI: 10.1016/j.bmc.2013.07.005 BindingDB Entry DOI: 10.7270/Q2CC13NZ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 186 total )  |  Next  |  Last  >>

Jump to: