Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'zeng' and Initial = 'w'   

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
Muscarinic acetylcholine receptor M3 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50109647 (2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...) Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50109647 (2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...) Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50176065 (4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266051 ((4-(furan-2-yl)-2-(2-(thiophen-2-yl)ethylamino)thi...) Show SMILES O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50233190 (CHEMBL4104953) Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(F)cc1 |t:2| Show InChI InChI=1S/C17H12FNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of human liver carboxylesterase 1 using o-nitrophenyl acetate as substrate				Bioorg Med Chem Lett 28: 3057-3063 (2018) Article DOI: 10.1016/j.bmcl.2018.07.047 BindingDB Entry DOI: 10.7270/Q2FF3W2X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266020 ((4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5...) Show SMILES O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266021 ((4-(furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazo...) Show SMILES O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H14N2O2S2/c22-17(13-6-2-1-3-7-13)18-16(15-9-4-10-23-15)21-19(25-18)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266022 ((2-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(fur...) Show SMILES O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H18N2O4S/c26-21(16-5-2-1-3-6-16)22-20(18-7-4-12-27-18)25-23(30-22)24-11-10-15-8-9-17-19(13-15)29-14-28-17/h1-9,12-13H,10-11,14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266019 ((2-(3,4-difluorobenzylamino)-4-(furan-2-yl)thiazol...) Show SMILES Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F Show InChI InChI=1S/C21H14F2N2O2S/c22-15-9-8-13(11-16(15)23)12-24-21-25-18(17-7-4-10-27-17)20(28-21)19(26)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265981 ((4-(furan-2-yl)-2-(methylamino)thiazol-5-yl)(pheny...) Show SMILES CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50233193 (CHEMBL4062476) Show SMILES COc1ccc(cc1)N(C)C1=CC(=O)C(=O)c2ccccc12 |t:11| Show InChI InChI=1S/C18H15NO3/c1-19(12-7-9-13(22-2)10-8-12)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of human liver carboxylesterase 1 using o-nitrophenyl acetate as substrate				Bioorg Med Chem Lett 28: 3057-3063 (2018) Article DOI: 10.1016/j.bmcl.2018.07.047 BindingDB Entry DOI: 10.7270/Q2FF3W2X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266084 ((2-(benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)t...) Show SMILES O=C(c1sc(nc1-c1ccco1)N(Cc1ccco1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H20N2O3S/c29-24(20-11-5-2-6-12-20)25-23(22-14-8-16-31-22)27-26(32-25)28(18-21-13-7-15-30-21)17-19-9-3-1-4-10-19/h1-16H,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265982 ((4-(furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phe...) Show SMILES CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM50463531 (CHEMBL4242425) Show SMILES COc1ccc(cc1F)N(C)C1=CC(=O)C(=O)c2ccccc12 |t:12| Show InChI InChI=1S/C18H14FNO3/c1-20(11-7-8-17(23-2)14(19)9-11)15-10-16(21)18(22)13-6-4-3-5-12(13)15/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of human liver carboxylesterase 1 using o-nitrophenyl acetate as substrate				Bioorg Med Chem Lett 28: 3057-3063 (2018) Article DOI: 10.1016/j.bmcl.2018.07.047 BindingDB Entry DOI: 10.7270/Q2FF3W2X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266052 ((4-(furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-y...) Show SMILES O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266018 ((2-(1-(2-fluorobenzyl)piperidin-4-ylamino)-4-(fura...) Show SMILES Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24FN3O2S/c27-21-10-5-4-9-19(21)17-30-14-12-20(13-15-30)28-26-29-23(22-11-6-16-32-22)25(33-26)24(31)18-7-2-1-3-8-18/h1-11,16,20H,12-15,17H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265984 ((4-(furan-2-yl)-2-(2-methoxypropylamino)thiazol-5-...) Show SMILES COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O3S/c1-12(22-2)11-19-18-20-15(14-9-6-10-23-14)17(24-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266055 ((4-(furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino...) Show SMILES CN(Cc1ccco1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM82423 (CAS_132947 | NSC_132947 | TRIPITRAMINE) Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265983 ((4-(furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-y...) Show SMILES COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM82423 (CAS_132947 | NSC_132947 | TRIPITRAMINE) Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265985 (CHEMBL460172 | N-(2-(5-benzoyl-4-(furan-2-yl)thiaz...) Show SMILES CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265986 (1-(4-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)pi...) Show SMILES CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM39341 (11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...) Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265986 (1-(4-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)pi...) Show SMILES CC(=O)N1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265982 ((4-(furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phe...) Show SMILES CC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O2S/c1-12(2)11-19-18-20-15(14-9-6-10-22-14)17(23-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266020 ((4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5...) Show SMILES O=C(c1sc(NCc2ccco2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H14N2O3S/c22-17(13-6-2-1-3-7-13)18-16(15-9-5-11-24-15)21-19(25-18)20-12-14-8-4-10-23-14/h1-11H,12H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 297: 718-26 (2001) BindingDB Entry DOI: 10.7270/Q28G8J85
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265985 (CHEMBL460172 | N-(2-(5-benzoyl-4-(furan-2-yl)thiaz...) Show SMILES CC(=O)NCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266054 ((2-(benzyl(methyl)amino)-4-(furan-2-yl)thiazol-5-y...) Show SMILES CN(Cc1ccccc1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H18N2O2S/c1-24(15-16-9-4-2-5-10-16)22-23-19(18-13-8-14-26-18)21(27-22)20(25)17-11-6-3-7-12-17/h2-14H,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266021 ((4-(furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazo...) Show SMILES O=C(c1sc(NCc2cccs2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C19H14N2O2S2/c22-17(13-6-2-1-3-7-13)18-16(15-9-4-10-23-15)21-19(25-18)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266055 ((4-(furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino...) Show SMILES CN(Cc1ccco1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C20H16N2O3S/c1-22(13-15-9-5-11-24-15)20-21-17(16-10-6-12-25-16)19(26-20)18(23)14-7-3-2-4-8-14/h2-12H,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266022 ((2-(2-(benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(fur...) Show SMILES O=C(c1sc(NCCc2ccc3OCOc3c2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H18N2O4S/c26-21(16-5-2-1-3-6-16)22-20(18-7-4-12-27-18)25-23(30-22)24-11-10-15-8-9-17-19(13-15)29-14-28-17/h1-9,12-13H,10-11,14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265981 ((4-(furan-2-yl)-2-(methylamino)thiazol-5-yl)(pheny...) Show SMILES CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C15H12N2O2S/c1-16-15-17-12(11-8-5-9-19-11)14(20-15)13(18)10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266018 ((2-(1-(2-fluorobenzyl)piperidin-4-ylamino)-4-(fura...) Show SMILES Fc1ccccc1CN1CCC(CC1)Nc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H24FN3O2S/c27-21-10-5-4-9-19(21)17-30-14-12-20(13-15-30)28-26-29-23(22-11-6-16-32-22)25(33-26)24(31)18-7-2-1-3-8-18/h1-11,16,20H,12-15,17H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265984 ((4-(furan-2-yl)-2-(2-methoxypropylamino)thiazol-5-...) Show SMILES COC(C)CNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H18N2O3S/c1-12(22-2)11-19-18-20-15(14-9-6-10-23-14)17(24-18)16(21)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266052 ((4-(furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-y...) Show SMILES O=C(c1sc(NCCCc2ccccc2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C23H20N2O2S/c26-21(18-12-5-2-6-13-18)22-20(19-14-8-16-27-19)25-23(28-22)24-15-7-11-17-9-3-1-4-10-17/h1-6,8-10,12-14,16H,7,11,15H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266051 ((4-(furan-2-yl)-2-(2-(thiophen-2-yl)ethylamino)thi...) Show SMILES O=C(c1sc(NCCc2cccs2)nc1-c1ccco1)c1ccccc1 Show InChI InChI=1S/C20H16N2O2S2/c23-18(14-6-2-1-3-7-14)19-17(16-9-4-12-24-16)22-20(26-19)21-11-10-15-8-5-13-25-15/h1-9,12-13H,10-11H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50265983 ((4-(furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-y...) Show SMILES COCCNc1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H16N2O3S/c1-21-11-9-18-17-19-14(13-8-5-10-22-13)16(23-17)15(20)12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266053 ((2-(dimethylamino)-4-(furan-2-yl)thiazol-5-yl)(phe...) Show SMILES CN(C)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C16H14N2O2S/c1-18(2)16-17-13(12-9-6-10-20-12)15(21-16)14(19)11-7-4-3-5-8-11/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266086 ((2-(benzyl(2-(thiophen-2-yl)ethyl)amino)-4-(furan-...) Show SMILES O=C(c1sc(nc1-c1ccco1)N(CCc1cccs1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H22N2O2S2/c30-25(21-11-5-2-6-12-21)26-24(23-14-7-17-31-23)28-27(33-26)29(16-15-22-13-8-18-32-22)19-20-9-3-1-4-10-20/h1-14,17-18H,15-16,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266019 ((2-(3,4-difluorobenzylamino)-4-(furan-2-yl)thiazol...) Show SMILES Fc1ccc(CNc2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)cc1F Show InChI InChI=1S/C21H14F2N2O2S/c22-15-9-8-13(11-16(15)23)12-24-21-25-18(17-7-4-10-27-17)20(28-21)19(26)14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50266085 ((4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)a...) Show SMILES CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H18N2O2S2/c1-23(12-11-16-9-6-14-26-16)21-22-18(17-10-5-13-25-17)20(27-21)19(24)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266054 ((2-(benzyl(methyl)amino)-4-(furan-2-yl)thiazol-5-y...) Show SMILES CN(Cc1ccccc1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H18N2O2S/c1-24(15-16-9-4-2-5-10-16)22-23-19(18-13-8-14-26-18)21(27-22)20(25)17-11-6-3-7-12-17/h2-14H,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266086 ((2-(benzyl(2-(thiophen-2-yl)ethyl)amino)-4-(furan-...) Show SMILES O=C(c1sc(nc1-c1ccco1)N(CCc1cccs1)Cc1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H22N2O2S2/c30-25(21-11-5-2-6-12-21)26-24(23-14-7-17-31-23)28-27(33-26)29(16-15-22-13-8-18-32-22)19-20-9-3-1-4-10-20/h1-14,17-18H,15-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266085 ((4-(furan-2-yl)-2-(methyl(2-(thiophen-2-yl)ethyl)a...) Show SMILES CN(CCc1cccs1)c1nc(-c2ccco2)c(s1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H18N2O2S2/c1-23(12-11-16-9-6-14-26-16)21-22-18(17-10-5-13-25-17)20(27-21)19(24)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 19: 378-81 (2008) Article DOI: 10.1016/j.bmcl.2008.11.066 BindingDB Entry DOI: 10.7270/Q2348K6P
					More data for this Ligand-Target Pair

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