Compile Data Set for Download or QSAR

Found 1278 hits with Last Name = 'petrelli' and Initial = 'r'   

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 (GUINEA PIG)	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50004767 (CHEMBL2312536) Show SMILES COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50078427 (CHEMBL3414941) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.311	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266666 (CHEMBL4105164) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H20ClN9O3/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(29-11)25-6-19-8-12(18-5-7-3-4-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,18,20,21)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50257034 (CHEMBL4096543) Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1 Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy. Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method				J Med Chem 61: 3712-3725 (2018) Article DOI: 10.1021/acs.jmedchem.8b00265 BindingDB Entry DOI: 10.7270/Q20K2C2P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266664 (CHEMBL4059961) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H19BrClN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(21)25-17(11)29)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.345	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50026917 (8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...) Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266649 (CHEMBL4071338) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r| Show InChI InChI=1S/C19H20ClN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266650 (CHEMBL4098377) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H19Cl2N9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(21)25-17(11)29)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.387	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266651 (CHEMBL4081876) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r| Show InChI InChI=1S/C19H20BrN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.393	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50004768 (CHEMBL2312538) Show SMILES C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50078425 (CHEMBL3414939) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(Cl)nc12 |r| Show InChI InChI=1S/C13H16ClN9O3/c1-3-23-20-10(19-21-23)8-6(24)7(25)12(26-8)22-4-16-5-9(15-2)17-13(14)18-11(5)22/h4,6-8,12,24-25H,3H2,1-2H3,(H,15,17,18)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.429	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50078538 (CHEMBL3414946) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(Cl)cc3F)ncnc12 |r| Show InChI InChI=1S/C18H17ClFN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-23-11-15(21-6-22-17(11)28)24-10-4-3-8(19)5-9(10)20/h3-7,12-14,18,30-31H,2H2,1H3,(H,21,22,24)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.432	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266662 (CHEMBL4087306) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r| Show InChI InChI=1S/C16H21N9O3/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(28-12)24-7-20-9-13(17-5-8-3-4-8)18-6-19-15(9)24/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,19)/t10-,11+,12-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50078428 (CHEMBL3414942) Show SMILES [H][C@@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1nnn(CC)n1 |r| Show InChI InChI=1S/C19H25N9O3/c1-2-28-25-17(24-26-28)15-13(29)14(30)19(31-15)27-8-22-12-16(20-7-21-18(12)27)23-11-6-9-3-4-10(11)5-9/h7-11,13-15,19,29-30H,2-6H2,1H3,(H,20,21,23)/t9-,10-,11+,13+,14-,15+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.453	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266666 (CHEMBL4105164) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H20ClN9O3/c1-2-26-23-13(22-24-26)11-9(27)10(28)15(29-11)25-6-19-8-12(18-5-7-3-4-7)20-16(17)21-14(8)25/h6-7,9-11,15,27-28H,2-5H2,1H3,(H,18,20,21)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.454	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50078427 (CHEMBL3414941) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.461	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50078424 (CHEMBL3414938) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)ncnc12 |r| Show InChI InChI=1S/C13H17N9O3/c1-3-22-19-11(18-20-22)9-7(23)8(24)13(25-9)21-5-17-6-10(14-2)15-4-16-12(6)21/h4-5,7-9,13,23-24H,3H2,1-2H3,(H,14,15,16)/t7-,8+,9-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.478	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50267395 (5'-chloro-5'-deoxy-N6-((-endo-norborn-2-yl)adenosi...) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21| Show InChI InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8?,9?,10?,11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266652 (CHEMBL4078479) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H20IN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.532	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50078427 (CHEMBL3414941) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H18ClN9O3/c1-2-25-22-12(21-23-25)10-8(26)9(27)14(28-10)24-5-17-7-11(18-6-3-4-6)19-15(16)20-13(7)24/h5-6,8-10,14,26-27H,2-4H2,1H3,(H,18,19,20)/t8-,9+,10-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.538	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50267577 (CHEMBL489640 | N6-((+/-)-endo-norborn-2-yl)adenosi...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)ncnc12 |r,TLB:14:15:19.18:21| Show InChI InChI=1S/C17H23N5O4/c23-5-11-13(24)14(25)17(26-11)22-7-20-12-15(18-6-19-16(12)22)21-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10?,11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50004766 (CHEMBL2312226) Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50259021 (CHEMBL4067083) Show SMILES [O-][N+](=O)c1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26N2O5/c28-27(29)23-13-7-8-14-24(23)31-16-15-26-17-22-18-30-19-25(32-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26H,15-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266662 (CHEMBL4087306) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC3CC3)ncnc12 |r| Show InChI InChI=1S/C16H21N9O3/c1-2-25-22-14(21-23-25)12-10(26)11(27)16(28-12)24-7-20-9-13(17-5-8-3-4-8)18-6-19-15(9)24/h6-8,10-12,16,26-27H,2-5H2,1H3,(H,17,18,19)/t10-,11+,12-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50078421 (CHEMBL3414948) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3I)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H19ClIN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-5-3-4-6-10(9)21/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.588	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50004769 (CHEMBL2312537) Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50267393 (CHEMBL477444 | N6-Cyclopentyl-9H-(5-chloro-5-deoxy...) Show SMILES O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C15H20ClN5O3/c16-5-9-11(22)12(23)15(24-9)21-7-19-10-13(17-6-18-14(10)21)20-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,17,18,20)/t9-,11-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412783 (CHEMBL493486) Show SMILES COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50259024 (CHEMBL4071929) Show SMILES COCOc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H31NO5/c1-29-21-32-26-15-9-8-14-25(26)31-17-16-28-18-24-19-30-20-27(33-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,28H,16-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50004770 (CHEMBL2312227) Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50078426 (CHEMBL3414940) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r| Show InChI InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.682	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50259000 (CHEMBL4082195) Show SMILES Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO4/c27-23-13-7-8-14-24(23)29-16-15-26-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26-27H,15-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50267578 (2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofu...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21| Show InChI InChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50078429 (CHEMBL3414943) Show SMILES [H][C@@]12CC[C@]([H])(C1)[C@H](C2)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1nnn(CC)n1 |r| Show InChI InChI=1S/C19H24ClN9O3/c1-2-29-26-16(25-27-29)14-12(30)13(31)18(32-14)28-7-21-11-15(23-19(20)24-17(11)28)22-10-6-8-3-4-9(10)5-8/h7-10,12-14,18,30-31H,2-6H2,1H3,(H,22,23,24)/t8-,9-,10+,12+,13-,14+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.728	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor transfected in CHO cells				J Med Chem 58: 2560-6 (2015) Article DOI: 10.1021/acs.jmedchem.5b00074 BindingDB Entry DOI: 10.7270/Q2GX4D8B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50266652 (CHEMBL4078479) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H20IN9O3/c1-2-29-26-17(25-27-29)15-13(30)14(31)19(32-15)28-9-24-12-16(22-8-23-18(12)28)21-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,30-31H,2,7H2,1H3,(H,21,22,23)/t13-,14+,15-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.768	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50107696 (1,9-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)...) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31| Show InChI InChI=1S/C25H38N6O2S2/c1-30-14-10-12-20(18-30)22-24(28-34-26-22)32-16-8-6-4-3-5-7-9-17-33-25-23(27-35-29-25)21-13-11-15-31(2)19-21/h12-13H,3-11,14-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50030223 (CHEMBL3354068) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4| Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50259023 (CHEMBL4075507) Show SMILES Clc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H26ClNO3/c26-23-13-7-8-14-24(23)29-16-15-27-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,27H,15-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50162482 (5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahy...) Show SMILES O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C14H18ClN5O4/c15-14-18-10(17-6-3-1-2-4-6)7-11(19-14)20(5-16-7)12-8(21)9(22)13(23)24-12/h5-6,8-9,12-13,21-23H,1-4H2,(H,17,18,19)/t8-,9+,12-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity for human adenosine A1 receptor subtype expressed in CHO cells				J Med Chem 48: 1550-62 (2005) Article DOI: 10.1021/jm049408n BindingDB Entry DOI: 10.7270/Q25X29PX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50266663 (CHEMBL4079433) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(F)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H19ClFN9O3/c1-2-30-27-16(26-28-30)14-12(31)13(32)18(33-14)29-8-23-11-15(24-19(20)25-17(11)29)22-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,31-32H,2,7H2,1H3,(H,22,24,25)/t12-,13+,14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.806	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50078426 (CHEMBL3414940) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r| Show InChI InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.864	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation counting				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50078426 (CHEMBL3414940) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ncnc12 |r| Show InChI InChI=1S/C15H19N9O3/c1-2-24-21-13(20-22-24)11-9(25)10(26)15(27-11)23-6-18-8-12(19-7-3-4-7)16-5-17-14(8)23/h5-7,9-11,15,25-26H,2-4H2,1H3,(H,16,17,19)/t9-,10+,11-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.875	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from recombinant human adenosine A3A receptor expressed in CHO cell membranes after 3 hrs by microbeta scintillation count...				J Med Chem 60: 4327-4341 (2017) Article DOI: 10.1021/acs.jmedchem.7b00291 BindingDB Entry DOI: 10.7270/Q2CJ8GZX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50259020 (CHEMBL4091168) Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50030223 (CHEMBL3354068) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4| Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50030223 (CHEMBL3354068) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4| Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay				J Med Chem 57: 9065-77 (2014) Article DOI: 10.1021/jm501173q BindingDB Entry DOI: 10.7270/Q2FT8NNB
					More data for this Ligand-Target Pair

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