Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'bansal' 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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18268 (5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...) Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113016 BindingDB Entry DOI: 10.7270/Q28W3JD6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496138 (CHEMBL3121727) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCn2ccnc2)cc1 Show InChI InChI=1S/C19H20N6O3/c1-23-17-15(18(26)24(2)19(23)27)21-16(22-17)13-4-6-14(7-5-13)28-11-3-9-25-10-8-20-12-25/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496133 (CHEMBL3121725) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCCl)cc1 Show InChI InChI=1S/C16H17ClN4O3/c1-20-14-12(15(22)21(2)16(20)23)18-13(19-14)10-4-6-11(7-5-10)24-9-3-8-17/h4-7H,3,8-9H2,1-2H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496134 (CHEMBL3121726) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C18H20N4O3/c1-21-16-14(17(23)22(2)18(21)24)19-15(20-16)11-7-9-13(10-8-11)25-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496142 (CHEMBL3121728) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C27H31ClN6O3/c1-31-25-23(26(35)32(2)27(31)36)29-24(30-25)19-8-10-21(11-9-19)37-17-5-12-33-13-15-34(16-14-33)18-20-6-3-4-7-22(20)28/h3-4,6-11H,5,12-18H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496142 (CHEMBL3121728) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C27H31ClN6O3/c1-31-25-23(26(35)32(2)27(31)36)29-24(30-25)19-8-10-21(11-9-19)37-17-5-12-33-13-15-34(16-14-33)18-20-6-3-4-7-22(20)28/h3-4,6-11H,5,12-18H2,1-2H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496131 (CHEMBL3121724) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-5-7-14(8-6-13)27-12-11-24-9-3-4-10-24/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496141 (CHEMBL3121721) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H25N5O3/c1-5-24(6-2)11-12-27-14-9-7-13(8-10-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-10H,5-6,11-12H2,1-4H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496136 (CHEMBL3121722) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCC2CCNCC2)cc1 Show InChI InChI=1S/C20H25N5O3/c1-24-18-16(19(26)25(2)20(24)27)22-17(23-18)14-3-5-15(6-4-14)28-12-9-13-7-10-21-11-8-13/h3-6,13,21H,7-12H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496137 (CHEMBL3121723) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C19H23N5O4/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-3-5-14(6-4-13)28-12-9-24-7-10-27-11-8-24/h3-6H,7-12H2,1-2H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496135 (CHEMBL3121720) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O3/c1-20(2)9-10-25-12-7-5-11(6-8-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-8H,9-10H2,1-4H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496138 (CHEMBL3121727) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCn2ccnc2)cc1 Show InChI InChI=1S/C19H20N6O3/c1-23-17-15(18(26)24(2)19(23)27)21-16(22-17)13-4-6-14(7-5-13)28-11-3-9-25-10-8-20-12-25/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496134 (CHEMBL3121726) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C18H20N4O3/c1-21-16-14(17(23)22(2)18(21)24)19-15(20-16)11-7-9-13(10-8-11)25-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496138 (CHEMBL3121727) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCn2ccnc2)cc1 Show InChI InChI=1S/C19H20N6O3/c1-23-17-15(18(26)24(2)19(23)27)21-16(22-17)13-4-6-14(7-5-13)28-11-3-9-25-10-8-20-12-25/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496131 (CHEMBL3121724) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-5-7-14(8-6-13)27-12-11-24-9-3-4-10-24/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496137 (CHEMBL3121723) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C19H23N5O4/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-3-5-14(6-4-13)28-12-9-24-7-10-27-11-8-24/h3-6H,7-12H2,1-2H3,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496136 (CHEMBL3121722) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCC2CCNCC2)cc1 Show InChI InChI=1S/C20H25N5O3/c1-24-18-16(19(26)25(2)20(24)27)22-17(23-18)14-3-5-15(6-4-14)28-12-9-13-7-10-21-11-8-13/h3-6,13,21H,7-12H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496141 (CHEMBL3121721) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H25N5O3/c1-5-24(6-2)11-12-27-14-9-7-13(8-10-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-10H,5-6,11-12H2,1-4H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496135 (CHEMBL3121720) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O3/c1-20(2)9-10-25-12-7-5-11(6-8-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-8H,9-10H2,1-4H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496142 (CHEMBL3121728) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C27H31ClN6O3/c1-31-25-23(26(35)32(2)27(31)36)29-24(30-25)19-8-10-21(11-9-19)37-17-5-12-33-13-15-34(16-14-33)18-20-6-3-4-7-22(20)28/h3-4,6-11H,5,12-18H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.113016 BindingDB Entry DOI: 10.7270/Q28W3JD6
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496131 (CHEMBL3121724) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-5-7-14(8-6-13)27-12-11-24-9-3-4-10-24/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496138 (CHEMBL3121727) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCn2ccnc2)cc1 Show InChI InChI=1S/C19H20N6O3/c1-23-17-15(18(26)24(2)19(23)27)21-16(22-17)13-4-6-14(7-5-13)28-11-3-9-25-10-8-20-12-25/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496141 (CHEMBL3121721) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H25N5O3/c1-5-24(6-2)11-12-27-14-9-7-13(8-10-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-10H,5-6,11-12H2,1-4H3,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496137 (CHEMBL3121723) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C19H23N5O4/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-3-5-14(6-4-13)28-12-9-24-7-10-27-11-8-24/h3-6H,7-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496137 (CHEMBL3121723) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C19H23N5O4/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-3-5-14(6-4-13)28-12-9-24-7-10-27-11-8-24/h3-6H,7-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496136 (CHEMBL3121722) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCC2CCNCC2)cc1 Show InChI InChI=1S/C20H25N5O3/c1-24-18-16(19(26)25(2)20(24)27)22-17(23-18)14-3-5-15(6-4-14)28-12-9-13-7-10-21-11-8-13/h3-6,13,21H,7-12H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496130 (CHEMBL3121731) Show SMILES Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H22N6O3/c1-24-18-17(19(27)25(2)20(24)28)22-16(23-18)12-14-4-6-15(7-5-14)29-11-3-9-26-10-8-21-13-26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496131 (CHEMBL3121724) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C19H23N5O3/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)13-5-7-14(8-6-13)27-12-11-24-9-3-4-10-24/h5-8H,3-4,9-12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496135 (CHEMBL3121720) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O3/c1-20(2)9-10-25-12-7-5-11(6-8-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-8H,9-10H2,1-4H3,(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496136 (CHEMBL3121722) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCC2CCNCC2)cc1 Show InChI InChI=1S/C20H25N5O3/c1-24-18-16(19(26)25(2)20(24)27)22-17(23-18)14-3-5-15(6-4-14)28-12-9-13-7-10-21-11-8-13/h3-6,13,21H,7-12H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496141 (CHEMBL3121721) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H25N5O3/c1-5-24(6-2)11-12-27-14-9-7-13(8-10-14)16-20-15-17(21-16)22(3)19(26)23(4)18(15)25/h7-10H,5-6,11-12H2,1-4H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496142 (CHEMBL3121728) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)cc1 Show InChI InChI=1S/C27H31ClN6O3/c1-31-25-23(26(35)32(2)27(31)36)29-24(30-25)19-8-10-21(11-9-19)37-17-5-12-33-13-15-34(16-14-33)18-20-6-3-4-7-22(20)28/h3-4,6-11H,5,12-18H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496139 (CHEMBL3121732) Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H31N5O5/c1-27-21-20(22(30)28(2)23(27)31)25-19(26-21)16-17-4-6-18(7-5-17)32-13-3-10-29-11-8-24(9-12-29)33-14-15-34-24/h4-7H,3,8-16H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496135 (CHEMBL3121720) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O3/c1-20(2)9-10-25-12-7-5-11(6-8-12)14-18-13-15(19-14)21(3)17(24)22(4)16(13)23/h5-8H,9-10H2,1-4H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496140 (CHEMBL3121730) Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCOCC4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H27N5O4/c1-24-19-18(20(27)25(2)21(24)28)22-17(23-19)14-15-4-6-16(7-5-15)30-11-3-8-26-9-12-29-13-10-26/h4-7H,3,8-14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496133 (CHEMBL3121725) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCCl)cc1 Show InChI InChI=1S/C16H17ClN4O3/c1-20-14-12(15(22)21(2)16(20)23)18-13(19-14)10-4-6-11(7-5-10)24-9-3-8-17/h4-7H,3,8-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496139 (CHEMBL3121732) Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H31N5O5/c1-27-21-20(22(30)28(2)23(27)31)25-19(26-21)16-17-4-6-18(7-5-17)32-13-3-10-29-11-8-24(9-12-29)33-14-15-34-24/h4-7H,3,8-16H2,1-2H3,(H,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496132 (CHEMBL3121729) Show SMILES Cn1c2nc(Cc3ccc(OCCCCl)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19ClN4O3/c1-21-15-14(16(23)22(2)17(21)24)19-13(20-15)10-11-4-6-12(7-5-11)25-9-3-8-18/h4-7H,3,8-10H2,1-2H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-NECA from human recombinant adenosine A2A receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496132 (CHEMBL3121729) Show SMILES Cn1c2nc(Cc3ccc(OCCCCl)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19ClN4O3/c1-21-15-14(16(23)22(2)17(21)24)19-13(20-15)10-11-4-6-12(7-5-11)25-9-3-8-18/h4-7H,3,8-10H2,1-2H3,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496140 (CHEMBL3121730) Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCOCC4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H27N5O4/c1-24-19-18(20(27)25(2)21(24)28)22-17(23-19)14-15-4-6-16(7-5-15)30-11-3-8-26-9-12-29-13-10-26/h4-7H,3,8-14H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496134 (CHEMBL3121726) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C18H20N4O3/c1-21-16-14(17(23)22(2)18(21)24)19-15(20-16)11-7-9-13(10-8-11)25-12-5-3-4-6-12/h7-10,12H,3-6H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496130 (CHEMBL3121731) Show SMILES Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H22N6O3/c1-24-18-17(19(27)25(2)20(24)28)22-16(23-18)12-14-4-6-15(7-5-14)29-11-3-9-26-10-8-21-13-26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50496133 (CHEMBL3121725) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCCl)cc1 Show InChI InChI=1S/C16H17ClN4O3/c1-20-14-12(15(22)21(2)16(20)23)18-13(19-14)10-4-6-11(7-5-10)24-9-3-8-17/h4-7H,3,8-9H2,1-2H3,(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Binding affinity to human recombinant adenosine A2B receptor expressed in CHO cell membranes assessed as inhibition of NECA-stimulated adenylyl cycla...				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496139 (CHEMBL3121732) Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H31N5O5/c1-27-21-20(22(30)28(2)23(27)31)25-19(26-21)16-17-4-6-18(7-5-17)32-13-3-10-29-11-8-24(9-12-29)33-14-15-34-24/h4-7H,3,8-16H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496139 (CHEMBL3121732) Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCC5(CC4)OCCO5)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C24H31N5O5/c1-27-21-20(22(30)28(2)23(27)31)25-19(26-21)16-17-4-6-18(7-5-17)32-13-3-10-29-11-8-24(9-12-29)33-14-15-34-24/h4-7H,3,8-16H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496133 (CHEMBL3121725) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCCCl)cc1 Show InChI InChI=1S/C16H17ClN4O3/c1-20-14-12(15(22)21(2)16(20)23)18-13(19-14)10-4-6-11(7-5-10)24-9-3-8-17/h4-7H,3,8-9H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496140 (CHEMBL3121730) Show SMILES Cn1c2nc(Cc3ccc(OCCCN4CCOCC4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H27N5O4/c1-24-19-18(20(27)25(2)21(24)28)22-17(23-19)14-15-4-6-16(7-5-15)30-11-3-8-26-9-12-29-13-10-26/h4-7H,3,8-14H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496130 (CHEMBL3121731) Show SMILES Cn1c2nc(Cc3ccc(OCCCn4ccnc4)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H22N6O3/c1-24-18-17(19(27)25(2)20(24)28)22-16(23-18)12-14-4-6-15(7-5-14)29-11-3-9-26-10-8-21-13-26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-HEMADO from human recombinant adenosine A3 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50496132 (CHEMBL3121729) Show SMILES Cn1c2nc(Cc3ccc(OCCCCl)cc3)[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H19ClN4O3/c1-21-15-14(16(23)22(2)17(21)24)19-13(20-15)10-11-4-6-12(7-5-11)25-9-3-8-18/h4-7H,3,8-10H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human recombinant adenosine A1 receptor expressed in CHO cell membranes after 3 hrs by microbeta counting analysis				Eur J Med Chem 75: 327-35 (2014) Article DOI: 10.1016/j.ejmech.2014.01.045 BindingDB Entry DOI: 10.7270/Q20R9SC2
					More data for this Ligand-Target Pair

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