Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'terán' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073274 (3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O Show InChI InChI=1S/C23H26N2O3/c1-18-16-19-8-9-21(17-22(19)28-23(18)26)27-15-5-10-24-11-13-25(14-12-24)20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073273 (3,4-Dimethyl-7-[3-(4-phenyl-piperazin-1-yl)-propox...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C24H28N2O3/c1-18-19(2)24(27)29-23-17-21(9-10-22(18)23)28-16-6-11-25-12-14-26(15-13-25)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50073271 (7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1 Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the inhibition of [3H]-8-OH-DPAT binding to rat hippocampus membrane (5-HT1A receptor)				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073273 (3,4-Dimethyl-7-[3-(4-phenyl-piperazin-1-yl)-propox...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C24H28N2O3/c1-18-19(2)24(27)29-23-17-21(9-10-22(18)23)28-16-6-11-25-12-14-26(15-13-25)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179048 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-{6-[3-(4-sulfamoyl-p...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)ncnc12 Show InChI InChI=1S/C19H22N8O7S/c1-2-21-17(30)14-12(28)13(29)18(34-14)27-8-24-11-15(22-7-23-16(11)27)26-19(31)25-9-3-5-10(6-4-9)35(20,32)33/h3-8,12-14,18,28-29H,2H2,1H3,(H,21,30)(H2,20,32,33)(H2,22,23,25,26,31)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073274 (3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O Show InChI InChI=1S/C23H26N2O3/c1-18-16-19-8-9-21(17-22(19)28-23(18)26)27-15-5-10-24-11-13-25(14-12-24)20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50370447 (CHEMBL609341) Show SMILES CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(Cl)cc3Cl)ncnc12 |r| Show InChI InChI=1S/C19H18Cl2N6O5/c1-2-22-18(31)14-12(28)13(29)19(32-14)27-7-25-11-15(23-6-24-16(11)27)26-17(30)9-4-3-8(20)5-10(9)21/h3-7,12-14,19,28-29H,2H2,1H3,(H,22,31)(H,23,24,26,30)/t12-,13+,14-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station Curated by ChEMBL					Assay Description Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane				Bioorg Med Chem Lett 15: 2641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.028 BindingDB Entry DOI: 10.7270/Q2Z60PTD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50073271 (7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1 Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in homogenated mouse fibroblast (LTK) cells transfected with human Dopamine receptor D2A using [3H]-ra...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179051 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@H](C)c3ccccc3)ncnc12 Show InChI InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14+,15-,16+,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179022 (1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(Cl)nc12 Show InChI InChI=1S/C20H22ClN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073274 (3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O Show InChI InChI=1S/C23H26N2O3/c1-18-16-19-8-9-21(17-22(19)28-23(18)26)27-15-5-10-24-11-13-25(14-12-24)20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179027 (1-(4-acetylphenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)C(C)=O)ncnc12 Show InChI InChI=1S/C21H23N7O6/c1-3-22-19(32)16-14(30)15(31)20(34-16)28-9-25-13-17(23-8-24-18(13)28)27-21(33)26-12-6-4-11(5-7-12)10(2)29/h4-9,14-16,20,30-31H,3H2,1-2H3,(H,22,32)(H2,23,24,26,27,33)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179023 (1-benzyl-3-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccccc3)ncnc12 Show InChI InChI=1S/C20H23N7O5/c1-2-21-18(30)15-13(28)14(29)19(32-15)27-10-25-12-16(23-9-24-17(12)27)26-20(31)22-8-11-6-4-3-5-7-11/h3-7,9-10,13-15,19,28-29H,2,8H2,1H3,(H,21,30)(H2,22,23,24,26,31)/t13-,14+,15-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073273 (3,4-Dimethyl-7-[3-(4-phenyl-piperazin-1-yl)-propox...) Show SMILES Cc1c(C)c(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C24H28N2O3/c1-18-19(2)24(27)29-23-17-21(9-10-22(18)23)28-16-6-11-25-12-14-26(15-13-25)20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073271 (7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-...) Show SMILES O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1 Show InChI InChI=1S/C22H24N2O3/c25-22-10-8-18-7-9-20(17-21(18)27-22)26-16-4-11-23-12-14-24(15-13-23)19-5-2-1-3-6-19/h1-3,5-10,17H,4,11-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179030 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12 Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179030 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12 Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50073272 (4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-c...) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12 Show InChI InChI=1S/C23H26N2O3/c1-18-16-23(26)28-22-17-20(8-9-21(18)22)27-15-5-10-24-11-13-25(14-12-24)19-6-3-2-4-7-19/h2-4,6-9,16-17H,5,10-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Vigo Curated by ChEMBL					Assay Description Compound was measured for the binding affinity in chinese hamster ovary (CHO) cells transfected with human Dopamine receptor D3 using [3H]-raclopride...				Bioorg Med Chem Lett 8: 3567-70 (1999) BindingDB Entry DOI: 10.7270/Q2CV4GWM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179041 (1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H19Cl2N7O5/c1-2-22-16(31)13-11(29)12(30)17(33-13)28-7-23-10-14(25-18(21)27-15(10)28)26-19(32)24-9-5-3-4-8(20)6-9/h3-7,11-13,17,29-30H,2H2,1H3,(H,22,31)(H2,24,25,26,27,32)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179049 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CCCCc1ccccc1 Show InChI InChI=1S/C31H33N7O6/c1-3-32-29(41)26-24(39)25(40)30(44-26)38-18-33-23-27(37-31(42)34-20-14-16-21(43-2)17-15-20)35-22(36-28(23)38)13-9-5-8-12-19-10-6-4-7-11-19/h4,6-7,10-11,14-18,24-26,30,39-40H,3,5,8,12H2,1-2H3,(H,32,41)(H2,34,35,36,37,42)/t24-,25+,26-,30+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179047 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 Show InChI InChI=1S/C22H27N7O6/c1-3-9-34-13-7-5-12(6-8-13)27-22(33)28-18-14-19(25-10-24-18)29(11-26-14)21-16(31)15(30)17(35-21)20(32)23-4-2/h5-8,10-11,15-17,21,30-31H,3-4,9H2,1-2H3,(H,23,32)(H2,24,25,27,28,33)/t15-,16+,17-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179047 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 Show InChI InChI=1S/C22H27N7O6/c1-3-9-34-13-7-5-12(6-8-13)27-22(33)28-18-14-19(25-10-24-18)29(11-26-14)21-16(31)15(30)17(35-21)20(32)23-4-2/h5-8,10-11,15-17,21,30-31H,3-4,9H2,1-2H3,(H,23,32)(H2,24,25,27,28,33)/t15-,16+,17-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179037 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccccc3)ncnc12 Show InChI InChI=1S/C21H25N7O5/c1-2-22-19(31)16-14(29)15(30)20(33-16)28-11-26-13-17(24-10-25-18(13)28)27-21(32)23-9-8-12-6-4-3-5-7-12/h3-7,10-11,14-16,20,29-30H,2,8-9H2,1H3,(H,22,31)(H2,23,24,25,27,32)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179031 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C28H27N7O6/c1-3-29-26(38)23-21(36)22(37)27(41-23)35-15-30-20-24(34-28(39)31-17-10-12-18(40-2)13-11-17)32-19(33-25(20)35)14-9-16-7-5-4-6-8-16/h4-8,10-13,15,21-23,27,36-37H,3H2,1-2H3,(H,29,38)(H2,31,32,33,34,39)/t21-,22+,23-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt 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
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50370448 (CHEMBL1791443) Show SMILES CCNC(O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12 |r| Show InChI InChI=1S/C23H27N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)41(37,38)31-14-8-11(2)40-30-14/h4-10,16-18,21-22,24,33-35H,3H2,1-2H3,(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,21?,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179029 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(5-methyl-i...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12 Show InChI InChI=1S/C23H25N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)41(37,38)31-14-8-11(2)40-30-14/h4-10,16-18,22,33-34H,3H2,1-2H3,(H,24,35)(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179038 ((2S,3S,4R,5R)-5-(6-(2-(2,4-dichlorophenyl)acetamid...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Cc3ccc(Cl)cc3Cl)ncnc12 Show InChI InChI=1S/C20H20Cl2N6O5/c1-2-23-19(32)16-14(30)15(31)20(33-16)28-8-26-13-17(24-7-25-18(13)28)27-12(29)5-9-3-4-10(21)6-11(9)22/h3-4,6-8,14-16,20,30-31H,2,5H2,1H3,(H,23,32)(H,24,25,27,29)/t14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179052 ((2S,3S,4R,5R)-5-(6-{bis[(4-nitrophenyl)carbamoyl]a...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C26H24N10O10/c1-2-27-23(39)20-18(37)19(38)24(46-20)33-12-30-17-21(33)28-11-29-22(17)34(25(40)31-13-3-7-15(8-4-13)35(42)43)26(41)32-14-5-9-16(10-6-14)36(44)45/h3-12,18-20,24,37-38H,2H2,1H3,(H,27,39)(H,31,40)(H,32,41)/t18-,19+,20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179034 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C26H31N7O6/c1-4-6-7-8-9-17-30-22(32-26(37)29-15-10-12-16(38-3)13-11-15)18-23(31-17)33(14-28-18)25-20(35)19(34)21(39-25)24(36)27-5-2/h10-14,19-21,25,34-35H,4-7H2,1-3H3,(H,27,36)(H2,29,30,31,32,37)/t19-,20+,21-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50179047 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCCOc1ccc(NC(=O)Nc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NCC)cc1 Show InChI InChI=1S/C22H27N7O6/c1-3-9-34-13-7-5-12(6-8-13)27-22(33)28-18-14-19(25-10-24-18)29(11-26-14)21-16(31)15(30)17(35-21)20(32)23-4-2/h5-8,10-11,15-17,21,30-31H,3-4,9H2,1-2H3,(H,23,32)(H2,24,25,27,28,33)/t15-,16+,17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station Curated by ChEMBL					Assay Description Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane				Bioorg Med Chem Lett 15: 2641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.028 BindingDB Entry DOI: 10.7270/Q2Z60PTD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179043 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(I)nc12 Show InChI InChI=1S/C20H22IN7O6/c1-3-22-17(31)14-12(29)13(30)18(34-14)28-8-23-11-15(25-19(21)27-16(11)28)26-20(32)24-9-4-6-10(33-2)7-5-9/h4-8,12-14,18,29-30H,3H2,1-2H3,(H,22,31)(H2,24,25,26,27,32)/t12-,13+,14-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50179030 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyridin-2-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccccn3)ncnc12 Show InChI InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)41(38,39)32-15-5-3-4-10-26-15/h3-12,17-19,23,34-35H,2H2,1H3,(H,25,36)(H,26,32)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station Curated by ChEMBL					Assay Description Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane				Bioorg Med Chem Lett 15: 2641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.028 BindingDB Entry DOI: 10.7270/Q2Z60PTD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179050 (1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(I)nc12 Show InChI InChI=1S/C19H19ClIN7O5/c1-2-22-16(31)13-11(29)12(30)17(33-13)28-7-23-10-14(25-18(21)27-15(10)28)26-19(32)24-9-5-3-4-8(20)6-9/h3-7,11-13,17,29-30H,2H2,1H3,(H,22,31)(H2,24,25,26,27,32)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179026 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)N[C@@H](C)c3ccccc3)ncnc12 Show InChI InChI=1S/C21H25N7O5/c1-3-22-19(31)16-14(29)15(30)20(33-16)28-10-25-13-17(23-9-24-18(13)28)27-21(32)26-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,29-30H,3H2,1-2H3,(H,22,31)(H2,23,24,26,27,32)/t11-,14-,15+,16-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	319	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179036 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(OC)cc3)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C29H29N7O7/c1-3-30-27(40)24-22(38)23(39)28(43-24)36-15-31-21-25(35-29(41)32-17-9-11-18(42-2)12-10-17)33-20(34-26(21)36)14-13-19(37)16-7-5-4-6-8-16/h4-12,15,19,22-24,28,37-39H,3H2,1-2H3,(H,30,40)(H2,32,33,34,35,41)/t19?,22-,23+,24-,28+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50370449 (CHEMBL609340) Show SMILES CCNC(=O)[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12 |r| Show InChI InChI=1S/C23H24N10O7S/c1-2-24-20(36)17-15(34)16(35)21(40-17)33-11-29-14-18(27-10-28-19(14)33)31-23(37)30-12-4-6-13(7-5-12)41(38,39)32-22-25-8-3-9-26-22/h3-11,15-17,21,34-35H,2H2,1H3,(H,24,36)(H,25,26,32)(H2,27,28,30,31,37)/t15-,16+,17-,21?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station"Villa Clara-Cienfuegos" Curated by ChEMBL					Assay Description Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 3491-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.122 BindingDB Entry DOI: 10.7270/Q24Q7VRZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179044 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-(6-{3-[4-(pyrimidin-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12 Show InChI InChI=1S/C23H24N10O7S/c1-2-24-20(36)17-15(34)16(35)21(40-17)33-11-29-14-18(27-10-28-19(14)33)31-23(37)30-12-4-6-13(7-5-12)41(38,39)32-22-25-8-3-9-26-22/h3-11,15-17,21,34-35H,2H2,1H3,(H,24,36)(H,25,26,32)(H2,27,28,30,31,37)/t15-,16+,17-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	405	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179046 (1-(3,4-dimethoxyphenethyl)-3-(9-((2R,3R,4S,5S)-5-(...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCCc3ccc(OC)c(OC)c3)ncnc12 Show InChI InChI=1S/C23H29N7O7/c1-4-24-21(33)18-16(31)17(32)22(37-18)30-11-28-15-19(26-10-27-20(15)30)29-23(34)25-8-7-12-5-6-13(35-2)14(9-12)36-3/h5-6,9-11,16-18,22,31-32H,4,7-8H2,1-3H3,(H,24,33)(H2,25,26,27,29,34)/t16-,17+,18-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	411	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179039 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cc(C)on3)ncnc12 Show InChI InChI=1S/C17H20N8O6/c1-3-18-15(28)12-10(26)11(27)16(30-12)25-6-21-9-13(19-5-20-14(9)25)23-17(29)22-8-4-7(2)31-24-8/h4-6,10-12,16,26-27H,3H2,1-2H3,(H,18,28)(H2,19,20,22,23,24,29)/t10-,11+,12-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	532	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179028 (1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...) Show SMILES CCCCC#Cc1nc(NC(=O)Nc2cccc(Cl)c2)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2n1 Show InChI InChI=1S/C25H28ClN7O5/c1-3-5-6-7-11-16-30-21(32-25(37)29-15-10-8-9-14(26)12-15)17-22(31-16)33(13-28-17)24-19(35)18(34)20(38-24)23(36)27-4-2/h8-10,12-13,18-20,24,34-35H,3-6H2,1-2H3,(H,27,36)(H2,29,30,31,32,37)/t18-,19+,20-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	581	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179045 (1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#Cc1ccccc1 Show InChI InChI=1S/C27H24ClN7O5/c1-2-29-25(38)22-20(36)21(37)26(40-22)35-14-30-19-23(34-27(39)31-17-10-6-9-16(28)13-17)32-18(33-24(19)35)12-11-15-7-4-3-5-8-15/h3-10,13-14,20-22,26,36-37H,2H2,1H3,(H,29,38)(H2,31,32,33,34,39)/t20-,21+,22-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	611	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179032 (1-(3-chlorophenyl)-3-(9-((2R,3R,4S,5S)-5-(ethylcar...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3cccc(Cl)c3)nc(nc12)C#CC(O)c1ccccc1 Show InChI InChI=1S/C28H26ClN7O6/c1-2-30-26(40)23-21(38)22(39)27(42-23)36-14-31-20-24(35-28(41)32-17-10-6-9-16(29)13-17)33-19(34-25(20)36)12-11-18(37)15-7-4-3-5-8-15/h3-10,13-14,18,21-23,27,37-39H,2H2,1H3,(H,30,40)(H2,32,33,34,35,41)/t18?,21-,22+,23-,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	696	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179042 (1-(9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydro...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)NCc3ccco3)ncnc12 Show InChI InChI=1S/C18H21N7O6/c1-2-19-16(28)13-11(26)12(27)17(31-13)25-8-23-10-14(21-7-22-15(10)25)24-18(29)20-6-9-4-3-5-30-9/h3-5,7-8,11-13,17,26-27H,2,6H2,1H3,(H,19,28)(H2,20,21,22,24,29)/t11-,12+,13-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	713	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50370449 (CHEMBL609340) Show SMILES CCNC(=O)[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12 |r| Show InChI InChI=1S/C23H24N10O7S/c1-2-24-20(36)17-15(34)16(35)21(40-17)33-11-29-14-18(27-10-28-19(14)33)31-23(37)30-12-4-6-13(7-5-12)41(38,39)32-22-25-8-3-9-26-22/h3-11,15-17,21,34-35H,2H2,1H3,(H,24,36)(H,25,26,32)(H2,27,28,30,31,37)/t15-,16+,17-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	725	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station Curated by ChEMBL					Assay Description Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane				Bioorg Med Chem Lett 15: 2641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.028 BindingDB Entry DOI: 10.7270/Q2Z60PTD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179033 ((2S,3S,4R,5R)-5-(6-(2-chlorobenzamido)-9H-purin-9-...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3Cl)ncnc12 Show InChI InChI=1S/C19H19ClN6O5/c1-2-21-18(30)14-12(27)13(28)19(31-14)26-8-24-11-15(22-7-23-16(11)26)25-17(29)9-5-3-4-6-10(9)20/h3-8,12-14,19,27-28H,2H2,1H3,(H,21,30)(H,22,23,25,29)/t12-,13+,14-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	754	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179053 ((2S,3S,4R,5R)-5-(6-benzamido-9H-purin-9-yl)-N-ethy...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccccc3)ncnc12 Show InChI InChI=1S/C19H20N6O5/c1-2-20-18(29)14-12(26)13(27)19(30-14)25-9-23-11-15(21-8-22-16(11)25)24-17(28)10-6-4-3-5-7-10/h3-9,12-14,19,26-27H,2H2,1H3,(H,20,29)(H,21,22,24,28)/t12-,13+,14-,19+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	824	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50179024 ((2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-methox...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(OC)cc3)ncnc12 Show InChI InChI=1S/C20H22N6O6/c1-3-21-19(30)15-13(27)14(28)20(32-15)26-9-24-12-16(22-8-23-17(12)26)25-18(29)10-4-6-11(31-2)7-5-10/h4-9,13-15,20,27-28H,3H2,1-2H3,(H,21,30)(H,22,23,25,29)/t13-,14+,15-,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	837	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vigo University Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1291-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.063 BindingDB Entry DOI: 10.7270/Q2959H4J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50370448 (CHEMBL1791443) Show SMILES CCNC(O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)on3)ncnc12 |r| Show InChI InChI=1S/C23H27N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)41(37,38)31-14-8-11(2)40-30-14/h4-10,16-18,21-22,24,33-35H,3H2,1-2H3,(H,30,31)(H2,25,26,28,29,36)/t16-,17+,18-,21?,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	901	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Sugar Cane Station Curated by ChEMBL					Assay Description Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane				Bioorg Med Chem Lett 15: 2641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.028 BindingDB Entry DOI: 10.7270/Q2Z60PTD
					More data for this Ligand-Target Pair

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