Compile Data Set for Download or QSAR

Found 1008 hits with Last Name = 'roy' and Initial = 'k'   

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 A3 (Homo sapiens (Human))	BDBM50496304 (CHEMBL3125712) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C18H23N5O2/c1-3-4-5-6-7-12-21-17(19-2)13-18(22-12)23(9-20-13)14-10-8-11(10)15(24)16(14)25/h9-11,14-16,24-25H,3-5,8H2,1-2H3,(H,19,21,22)/t10-,11+,14+,15+,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496310 (CHEMBL3125713) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C19H25N5O2/c1-3-5-6-7-8-13-22-18(20-4-2)14-19(23-13)24(10-21-14)15-11-9-12(11)16(25)17(15)26/h10-12,15-17,25-26H,3-6,9H2,1-2H3,(H,20,22,23)/t11-,12+,15+,16+,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496311 (CHEMBL3125718) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26ClN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496307 (CHEMBL3125717) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26BrN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496308 (CHEMBL3125714) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C20H25N5O2/c1-2-3-4-5-6-14-23-19(22-11-7-8-11)15-20(24-14)25(10-21-15)16-12-9-13(12)17(26)18(16)27/h10-13,16-18,26-27H,2-4,7-9H2,1H3,(H,22,23,24)/t12-,13+,16+,17+,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496311 (CHEMBL3125718) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26ClN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496305 (CHEMBL3125716) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26IN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496309 (CHEMBL3125719) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(F)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26FN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496306 (CHEMBL3125711) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C17H21N5O2/c1-2-3-4-5-6-11-20-16(18)12-17(21-11)22(8-19-12)13-9-7-10(9)14(23)15(13)24/h8-10,13-15,23-24H,2-4,7H2,1H3,(H2,18,20,21)/t9-,10+,13+,14+,15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496305 (CHEMBL3125716) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26IN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496308 (CHEMBL3125714) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C20H25N5O2/c1-2-3-4-5-6-14-23-19(22-11-7-8-11)15-20(24-14)25(10-21-15)16-12-9-13(12)17(26)18(16)27/h10-13,16-18,26-27H,2-4,7-9H2,1H3,(H,22,23,24)/t12-,13+,16+,17+,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496309 (CHEMBL3125719) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(F)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26FN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302924 (2-(tert-Butylamino)-3',4'-dichloropentanophenone |...) Show SMILES CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H21Cl2NO/c1-5-6-13(18-15(2,3)4)14(19)10-7-8-11(16)12(17)9-10/h7-9,13,18H,5-6H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496303 (CHEMBL3125715) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C22H29N5O2/c1-2-3-4-5-10-16-25-21(24-13-8-6-7-9-13)17-22(26-16)27(12-23-17)18-14-11-15(14)19(28)20(18)29/h12-15,18-20,28-29H,2-4,6-9,11H2,1H3,(H,24,25,26)/t14-,15+,18+,19+,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496307 (CHEMBL3125717) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C24H26BrN5O2/c1-2-3-4-5-9-18-28-23(26-12-14-7-6-8-15(25)10-14)19-24(29-18)30(13-27-19)20-16-11-17(16)21(31)22(20)32/h6-8,10,13,16-17,20-22,31-32H,2-4,11-12H2,1H3,(H,26,28,29)/t16-,17+,20+,21+,22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496306 (CHEMBL3125711) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C17H21N5O2/c1-2-3-4-5-6-11-20-16(18)12-17(21-11)22(8-19-12)13-9-7-10(9)14(23)15(13)24/h8-10,13-15,23-24H,2-4,7H2,1H3,(H2,18,20,21)/t9-,10+,13+,14+,15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302927 (2-(N-tert-Butylamino)-3'-chloropentanophenone | 2-...) Show SMILES CCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H22ClNO/c1-5-7-13(17-15(2,3)4)14(18)11-8-6-9-12(16)10-11/h6,8-10,13,17H,5,7H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50496306 (CHEMBL3125711) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(N)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C17H21N5O2/c1-2-3-4-5-6-11-20-16(18)12-17(21-11)22(8-19-12)13-9-7-10(9)14(23)15(13)24/h8-10,13-15,23-24H,2-4,7H2,1H3,(H2,18,20,21)/t9-,10+,13+,14+,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]-CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094694 (1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C21H15ClN6O3/c1-30-14-7-5-13(6-8-14)23-21(29)26-20-24-16-9-4-12(22)11-15(16)19-25-18(27-28(19)20)17-3-2-10-31-17/h2-11H,1H3,(H2,23,24,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302913 (2-(N-tert-Butylamino)-3'-chlorophenyl-4-methylpent...) Show SMILES CC(C)CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H24ClNO/c1-11(2)9-14(18-16(3,4)5)15(19)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,9H2,1-5H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094696 (1-(2-(furan-2-yl)-8H-pyrazolo[4,3-e][1,2,4]triazol...) Show SMILES COc1ccc(NC(=O)Nc2nc3n[nH]cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C18H14N8O3/c1-28-11-6-4-10(5-7-11)20-18(27)23-17-22-14-12(9-19-24-14)16-21-15(25-26(16)17)13-3-2-8-29-13/h2-9H,1H3,(H3,19,20,22,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109445 (1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H18N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21-13-8-6-12(2)7-9-13)28-18(14)22-17(26-28)15-5-4-10-30-15/h4-11H,3H2,1-2H3,(H2,21,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109481 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H18N8O2/c1-2-10-27-12-14-16(25-27)23-19(24-20(29)21-13-7-4-3-5-8-13)28-18(14)22-17(26-28)15-9-6-11-30-15/h3-9,11-12H,2,10H2,1H3,(H2,21,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109461 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H14N8O2/c1-25-10-12-14(23-25)21-17(22-18(27)19-11-6-3-2-4-7-11)26-16(12)20-15(24-26)13-8-5-9-28-13/h2-10H,1H3,(H2,19,21,22,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50496303 (CHEMBL3125715) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C22H29N5O2/c1-2-3-4-5-10-16-25-21(24-13-8-6-7-9-13)17-22(26-16)27(12-23-17)18-14-11-15(14)19(28)20(18)29/h12-15,18-20,28-29H,2-4,6-9,11H2,1H3,(H,24,25,26)/t14-,15+,18+,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496310 (CHEMBL3125713) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C19H25N5O2/c1-3-5-6-7-8-13-22-18(20-4-2)14-19(23-13)24(10-21-14)15-11-9-12(11)16(25)17(15)26/h10-12,15-17,25-26H,3-6,9H2,1-2H3,(H,20,22,23)/t11-,12+,15+,16+,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109473 (1-(8-Ethyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H16N8O2/c1-2-26-11-13-15(24-26)22-18(23-19(28)20-12-7-4-3-5-8-12)27-17(13)21-16(25-27)14-9-6-10-29-14/h3-11H,2H2,1H3,(H2,20,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094692 (1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]qui...) Show SMILES Clc1cccc(NC(=O)Nc2nc3ccc(Cl)cc3c3nc(nn23)-c2ccco2)c1 Show InChI InChI=1S/C20H12Cl2N6O2/c21-11-3-1-4-13(9-11)23-20(29)26-19-24-15-7-6-12(22)10-14(15)18-25-17(27-28(18)19)16-5-2-8-30-16/h1-10H,(H2,23,24,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109455 (1-(4-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...) Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094691 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H16N8O3/c1-26-10-13-15(24-26)22-18(23-19(28)20-11-5-7-12(29-2)8-6-11)27-17(13)21-16(25-27)14-4-3-9-30-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109456 (1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O2/c1-2-3-11-28-13-15-17(26-28)24-20(25-21(30)22-14-8-5-4-6-9-14)29-19(15)23-18(27-29)16-10-7-12-31-16/h4-10,12-13H,2-3,11H2,1H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109438 (1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(C)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C22H22N8O2/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-15-9-7-14(2)8-10-15)30-20(16)24-19(28-30)17-6-5-12-32-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Rattus norvegicus)	BDBM50496304 (CHEMBL3125712) Show SMILES [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(nc12)C#CCCCC |r| Show InChI InChI=1S/C18H23N5O2/c1-3-4-5-6-7-12-21-17(19-2)13-18(22-12)23(9-20-13)14-10-8-11(10)15(24)16(14)25/h9-11,14-16,24-25H,3-5,8H2,1-2H3,(H,19,21,22)/t10-,11+,14+,15+,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [125I]-I-AB-MECA from rat adenosine A3 receptor expressed in RBL-2H3 cells after 60 mins by gamma counting analysis				J Med Chem 57: 1344-54 (2014) Article DOI: 10.1021/jm4015313 BindingDB Entry DOI: 10.7270/Q26976JW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50417781 (CHEMBL1644525) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H16N8O3/c1-27-8-14-16(25-27)23-19(28-18(14)22-17(26-28)15-3-2-6-31-15)24-20(29)21-13-5-4-11-9-30-10-12(11)7-13/h2-8H,9-10H2,1H3,(H2,21,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50417780 (CHEMBL1644526) Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H18N8O3/c1-2-28-9-15-17(26-28)24-20(29-19(15)23-18(27-29)16-4-3-7-32-16)25-21(30)22-14-6-5-12-10-31-11-13(12)8-14/h3-9H,2,10-11H2,1H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302914 (2-(tert-Butylamino)-3',4'-dichlorobutyrophenone | ...) Show SMILES CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	278	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109454 (1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13ClN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109462 (1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-py...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H17FN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109480 (1-(2-Chloro-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyr...) Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccccc1Cl)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H15ClN8O2/c1-2-27-10-11-15(25-27)23-18(24-19(29)21-13-7-4-3-6-12(13)20)28-17(11)22-16(26-28)14-8-5-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50417782 (CHEMBL1644692) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc3COCc3c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C22H20N8O3/c1-2-7-29-10-16-18(27-29)25-21(30-20(16)24-19(28-30)17-4-3-8-33-17)26-22(31)23-15-6-5-13-11-32-12-14(13)9-15/h3-6,8-10H,2,7,11-12H2,1H3,(H2,23,25,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109472 (1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Cc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccco2)cc1 Show InChI InChI=1S/C19H16N8O2/c1-11-5-7-12(8-6-11)20-19(28)23-18-22-15-13(10-26(2)24-15)17-21-16(25-27(17)18)14-4-3-9-29-14/h3-10H,1-2H3,(H2,20,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50094687 (1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]t...) Show SMILES CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C22H22N8O3/c1-3-4-11-29-13-16-18(27-29)25-21(26-22(31)23-14-7-9-15(32-2)10-8-14)30-20(16)24-19(28-30)17-6-5-12-33-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,25,26,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109458 (1-(4-Chloro-phenyl)-3-(2-furan-2-yl-8-propyl-8H-py...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C20H17ClN8O2/c1-2-9-28-11-14-16(26-28)24-19(25-20(30)22-13-7-5-12(21)6-8-13)29-18(14)23-17(27-29)15-4-3-10-31-15/h3-8,10-11H,2,9H2,1H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109434 (1-(4-Fluoro-phenyl)-3-(2-furan-2-yl-8-methyl-8H-py...) Show SMILES Cn1cc2c(n1)nc(NC(=O)Nc1ccc(F)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C18H13FN8O2/c1-26-9-12-14(24-26)22-17(23-18(28)20-11-6-4-10(19)5-7-11)27-16(12)21-15(25-27)13-3-2-8-29-13/h2-9H,1H3,(H2,20,22,23,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109489 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccccc1OC)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-13-17(26-28)24-20(25-21(30)22-14-7-4-5-8-15(14)31-2)29-19(13)23-18(27-29)16-9-6-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302931 (2-(N-tert-Butylamino)-3'-chlorohexanophenone | CHE...) Show SMILES CCCCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H24ClNO/c1-5-6-10-14(18-16(2,3)4)15(19)12-8-7-9-13(17)11-12/h7-9,11,14,18H,5-6,10H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109437 (1-(4-Bromo-phenyl)-3-(8-ethyl-2-furan-2-yl-8H-pyra...) Show SMILES CCn1cc2c(n1)nc(NC(=O)Nc1ccc(Br)cc1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C19H15BrN8O2/c1-2-27-10-13-15(25-27)23-18(24-19(29)21-12-7-5-11(20)6-8-12)28-17(13)22-16(26-28)14-4-3-9-30-14/h3-10H,2H2,1H3,(H2,21,23,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50109463 (1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1cccc(OC)c1)n1nc(nc21)-c1ccco1 Show InChI InChI=1S/C21H20N8O3/c1-3-9-28-12-15-17(26-28)24-20(25-21(30)22-13-6-4-7-14(11-13)31-2)29-19(15)23-18(27-29)16-8-5-10-32-16/h4-8,10-12H,3,9H2,1-2H3,(H2,22,24,25,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) Curated by ChEMBL					Assay Description Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins				Bioorg Med Chem Lett 21: 818-23 (2011) Article DOI: 10.1016/j.bmcl.2010.11.094 BindingDB Entry DOI: 10.7270/Q2XP766Q
					More data for this Ligand-Target Pair

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