Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'alachouzos' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210813 (CHEMBL3916315) Show SMILES Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210809 (CHEMBL3951351) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.81,-7.65,;24.48,-8.43,;23.14,-7.67,;21.81,-8.45,;21.83,-9.99,;23.17,-10.75,;24.49,-9.97,;20.5,-10.77,;20.51,-12.31,;21.85,-13.07,;21.86,-14.61,;20.53,-15.39,;20.54,-16.93,;21.88,-17.69,;21.9,-19.23,;20.57,-20.01,;20.58,-21.55,;19.24,-19.25,;17.9,-20.04,;19.22,-17.71,;19.2,-14.63,;19.19,-13.09,;17.87,-15.42,;16.52,-14.65,;15.2,-15.43,;15.21,-16.97,;16.55,-17.73,;17.88,-16.96,)| Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210817 (CHEMBL3966761) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(24.41,-7.47,;23.08,-8.25,;21.74,-7.49,;20.41,-8.27,;20.43,-9.81,;21.77,-10.57,;23.09,-9.79,;19.1,-10.59,;19.11,-12.13,;20.45,-12.9,;20.46,-14.44,;19.13,-15.21,;19.14,-16.75,;17.82,-17.53,;17.84,-19.07,;19.17,-19.83,;20.5,-19.06,;20.48,-17.52,;21.84,-19.81,;22.62,-21.13,;23.38,-19.79,;17.8,-14.45,;17.79,-12.91,;16.47,-15.24,;15.12,-14.48,;13.8,-15.25,;13.81,-16.79,;15.15,-17.56,;16.48,-16.78,)| Show InChI InChI=1S/C24H26N4O/c29-20-10-8-19(9-11-20)27-24-26-15-21(23(28-24)17-4-2-1-3-5-17)18-12-13-25-22(14-18)16-6-7-16/h1-5,12-16,19-20,29H,6-11H2,(H,26,27,28)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210813 (CHEMBL3916315) Show SMILES Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3O/c17-13-8-11(6-7-14(13)21)12-9-19-16(18)20-15(12)10-4-2-1-3-5-10/h1-9,21H,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210801 (CHEMBL3969553) Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210801 (CHEMBL3969553) Show SMILES Nc1ncc(-c2ccc(O)cc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(11-6-8-13(20)9-7-11)15(19-16)12-4-2-1-3-5-12/h1-10,20H,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210799 (CHEMBL3948763) Show SMILES Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 Show InChI InChI=1S/C18H16N4/c19-18-21-11-15(17(22-18)13-4-2-1-3-5-13)14-8-9-20-16(10-14)12-6-7-12/h1-5,8-12H,6-7H2,(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210798 (CHEMBL3930969) Show SMILES Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2/c17-16-18-9-12(11-6-7-13(20)14(21)8-11)15(19-16)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210809 (CHEMBL3951351) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.81,-7.65,;24.48,-8.43,;23.14,-7.67,;21.81,-8.45,;21.83,-9.99,;23.17,-10.75,;24.49,-9.97,;20.5,-10.77,;20.51,-12.31,;21.85,-13.07,;21.86,-14.61,;20.53,-15.39,;20.54,-16.93,;21.88,-17.69,;21.9,-19.23,;20.57,-20.01,;20.58,-21.55,;19.24,-19.25,;17.9,-20.04,;19.22,-17.71,;19.2,-14.63,;19.19,-13.09,;17.87,-15.42,;16.52,-14.65,;15.2,-15.43,;15.21,-16.97,;16.55,-17.73,;17.88,-16.96,)| Show InChI InChI=1S/C22H22ClN3O2/c23-19-12-15(6-11-20(19)28)18-13-24-22(25-16-7-9-17(27)10-8-16)26-21(18)14-4-2-1-3-5-14/h1-6,11-13,16-17,27-28H,7-10H2,(H,24,25,26)/t16-,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	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210818 (CHEMBL3937015) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)| Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210798 (CHEMBL3930969) Show SMILES Nc1ncc(-c2ccc(O)c(O)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2/c17-16-18-9-12(11-6-7-13(20)14(21)8-11)15(19-16)10-4-2-1-3-5-10/h1-9,20-21H,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210807 (CHEMBL3965184) Show SMILES Nc1ncc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H12F3N3/c18-17(19,20)13-8-4-7-12(9-13)14-10-22-16(21)23-15(14)11-5-2-1-3-6-11/h1-10H,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210815 (CHEMBL3318881) Show SMILES Nc1ncc(-c2ccncc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C15H12N4/c16-15-18-10-13(11-6-8-17-9-7-11)14(19-15)12-4-2-1-3-5-12/h1-10H,(H2,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210814 (CHEMBL3977929) Show SMILES Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C20H15N3/c21-20-22-13-18(19(23-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210811 (CHEMBL3968282) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(45,-31.97,;43.68,-32.75,;42.34,-31.99,;41.01,-32.77,;41.02,-34.31,;42.36,-35.07,;43.69,-34.29,;39.69,-35.09,;39.7,-36.63,;41.05,-37.39,;41.05,-38.93,;39.72,-39.71,;39.73,-41.25,;41.07,-42.01,;41.08,-43.55,;39.76,-44.33,;38.41,-43.57,;37.08,-44.35,;38.4,-42.03,;38.38,-38.95,;38.37,-37.41,;37.05,-39.73,;35.71,-38.97,;34.39,-39.75,;34.4,-41.29,;35.74,-42.05,;37.07,-41.27,)| Show InChI InChI=1S/C22H22ClN3O/c23-17-8-4-7-16(13-17)20-14-24-22(25-18-9-11-19(27)12-10-18)26-21(20)15-5-2-1-3-6-15/h1-8,13-14,18-19,27H,9-12H2,(H,24,25,26)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210819 (CHEMBL3916959) Show SMILES COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210799 (CHEMBL3948763) Show SMILES Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 Show InChI InChI=1S/C18H16N4/c19-18-21-11-15(17(22-18)13-4-2-1-3-5-13)14-8-9-20-16(10-14)12-6-7-12/h1-5,8-12H,6-7H2,(H2,19,21,22)	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	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210824 (CHEMBL3954384) Show SMILES Nc1ncc(-c2ccc(Cl)c(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H11Cl2N3/c17-13-7-6-11(8-14(13)18)12-9-20-16(19)21-15(12)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210806 (CHEMBL3926983) Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C17H15N3O/c1-21-14-9-5-8-13(10-14)15-11-19-17(18)20-16(15)12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210808 (CHEMBL3982084) Show SMILES Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3/c17-13-8-4-7-12(9-13)14-10-19-16(18)20-15(14)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210805 (CHEMBL3976804) Show SMILES OCCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C19H18ClN3O/c20-16-9-4-8-15(12-16)17-13-22-19(21-10-5-11-24)23-18(17)14-6-2-1-3-7-14/h1-4,6-9,12-13,24H,5,10-11H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210817 (CHEMBL3966761) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(24.41,-7.47,;23.08,-8.25,;21.74,-7.49,;20.41,-8.27,;20.43,-9.81,;21.77,-10.57,;23.09,-9.79,;19.1,-10.59,;19.11,-12.13,;20.45,-12.9,;20.46,-14.44,;19.13,-15.21,;19.14,-16.75,;17.82,-17.53,;17.84,-19.07,;19.17,-19.83,;20.5,-19.06,;20.48,-17.52,;21.84,-19.81,;22.62,-21.13,;23.38,-19.79,;17.8,-14.45,;17.79,-12.91,;16.47,-15.24,;15.12,-14.48,;13.8,-15.25,;13.81,-16.79,;15.15,-17.56,;16.48,-16.78,)| Show InChI InChI=1S/C24H26N4O/c29-20-10-8-19(9-11-20)27-24-26-15-21(23(28-24)17-4-2-1-3-5-17)18-12-13-25-22(14-18)16-6-7-16/h1-5,12-16,19-20,29H,6-11H2,(H,26,27,28)/t19-,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	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210812 (CHEMBL3955789) Show SMILES Clc1cccc(c1)-c1cnc(NC2CCCC2)nc1-c1ccccc1 Show InChI InChI=1S/C21H20ClN3/c22-17-10-6-9-16(13-17)19-14-23-21(24-18-11-4-5-12-18)25-20(19)15-7-2-1-3-8-15/h1-3,6-10,13-14,18H,4-5,11-12H2,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210807 (CHEMBL3965184) Show SMILES Nc1ncc(-c2cccc(c2)C(F)(F)F)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H12F3N3/c18-17(19,20)13-8-4-7-12(9-13)14-10-22-16(21)23-15(14)11-5-2-1-3-6-11/h1-10H,(H2,21,22,23)	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	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210821 (CHEMBL3926610) Show SMILES COc1ccc(cc1OC)-c1cnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C18H17N3O2/c1-22-15-9-8-13(10-16(15)23-2)14-11-20-18(19)21-17(14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210823 (CHEMBL3949808) Show SMILES CCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C20H18ClN3O/c1-2-7-18(25)23-20-22-13-17(15-10-6-11-16(21)12-15)19(24-20)14-8-4-3-5-9-14/h3-6,8-13H,2,7H2,1H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210815 (CHEMBL3318881) Show SMILES Nc1ncc(-c2ccncc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C15H12N4/c16-15-18-10-13(11-6-8-17-9-7-11)14(19-15)12-4-2-1-3-5-12/h1-10H,(H2,16,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210808 (CHEMBL3982084) Show SMILES Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3/c17-13-8-4-7-12(9-13)14-10-19-16(18)20-15(14)11-5-2-1-3-6-11/h1-10H,(H2,18,19,20)	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	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210814 (CHEMBL3977929) Show SMILES Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C20H15N3/c21-20-22-13-18(19(23-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)	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	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210822 (CHEMBL3956222) Show SMILES OCCCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C20H20ClN3O/c21-17-10-6-9-16(13-17)18-14-23-20(22-11-4-5-12-25)24-19(18)15-7-2-1-3-8-15/h1-3,6-10,13-14,25H,4-5,11-12H2,(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210820 (CHEMBL3939987) Show SMILES Nc1ncc(-c2cccc(O)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-10-14(12-7-4-8-13(20)9-12)15(19-16)11-5-2-1-3-6-11/h1-10,20H,(H2,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210806 (CHEMBL3926983) Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C17H15N3O/c1-21-14-9-5-8-13(10-14)15-11-19-17(18)20-16(15)12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,20)	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
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210800 (CHEMBL3903115) Show SMILES Nc1ncc(-c2ccc(F)cc2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12FN3/c17-13-8-6-11(7-9-13)14-10-19-16(18)20-15(14)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210797 (CHEMBL3947529) Show SMILES OCCNc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C18H16ClN3O/c19-15-8-4-7-14(11-15)16-12-21-18(20-9-10-23)22-17(16)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210816 (CHEMBL3931878) Show SMILES Cc1cccc(c1)-c1cnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C17H15N3/c1-12-6-5-9-14(10-12)15-11-19-17(18)20-16(15)13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting meth...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210819 (CHEMBL3916959) Show SMILES COc1ccc(cc1Cl)-c1cnc(N)nc1-c1ccccc1 Show InChI InChI=1S/C17H14ClN3O/c1-22-15-8-7-12(9-14(15)18)13-10-20-17(19)21-16(13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50210818 (CHEMBL3937015) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)| Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from recombinant human adenosine A2A receptor expressed in HEK293 cell membranes after 2 hrs by beta scintillation count...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50210818 (CHEMBL3937015) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)| Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB603 from recombinant human adenosine A2B receptor expressed in HEK293 cell membranes after 1 hr by beta scintillation counting...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210811 (CHEMBL3968282) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2cccc(Cl)c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(45,-31.97,;43.68,-32.75,;42.34,-31.99,;41.01,-32.77,;41.02,-34.31,;42.36,-35.07,;43.69,-34.29,;39.69,-35.09,;39.7,-36.63,;41.05,-37.39,;41.05,-38.93,;39.72,-39.71,;39.73,-41.25,;41.07,-42.01,;41.08,-43.55,;39.76,-44.33,;38.41,-43.57,;37.08,-44.35,;38.4,-42.03,;38.38,-38.95,;38.37,-37.41,;37.05,-39.73,;35.71,-38.97,;34.39,-39.75,;34.4,-41.29,;35.74,-42.05,;37.07,-41.27,)| Show InChI InChI=1S/C22H22ClN3O/c23-17-8-4-7-16(13-17)20-14-24-22(25-18-9-11-19(27)12-10-18)26-21(20)15-5-2-1-3-6-15/h1-8,13-14,18-19,27H,9-12H2,(H,24,25,26)/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	278	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50210818 (CHEMBL3937015) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccc3ccccc3c2)c(n1)-c1ccccc1 |r,wU:4.7,wD:1.0,(25.3,-7.48,;23.97,-8.25,;22.62,-7.49,;21.3,-8.28,;21.31,-9.82,;22.65,-10.57,;23.98,-9.79,;19.99,-10.6,;20,-12.14,;21.34,-12.9,;21.35,-14.44,;20.02,-15.22,;20.03,-16.76,;18.7,-17.54,;18.72,-19.08,;20.06,-19.83,;20.07,-21.37,;21.4,-22.13,;22.73,-21.35,;22.72,-19.82,;21.39,-19.06,;21.37,-17.52,;18.68,-14.46,;18.67,-12.92,;17.35,-15.24,;16.01,-14.48,;14.68,-15.26,;14.69,-16.8,;16.04,-17.56,;17.36,-16.78,)| Show InChI InChI=1S/C26H25N3O/c30-23-14-12-22(13-15-23)28-26-27-17-24(25(29-26)19-7-2-1-3-8-19)21-11-10-18-6-4-5-9-20(18)16-21/h1-11,16-17,22-23,30H,12-15H2,(H,27,28,29)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	166	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human adenosine A1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding...				Eur J Med Chem 125: 586-602 (2017) Article DOI: 10.1016/j.ejmech.2016.09.081 BindingDB Entry DOI: 10.7270/Q26Q20DV
					More data for this Ligand-Target Pair