Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50000715   

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 A2a (Rattus norvegicus (rat))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50420970 (CHEMBL2088316) Show SMILES Cn1c(CSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50306696 (8-Benzyloxycaffeine | CHEMBL602259 | cid_223566) Show SMILES Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O3/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50306696 (8-Benzyloxycaffeine | CHEMBL602259 | cid_223566) Show SMILES Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O3/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane in presence of GTP by GTP shift assay				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50348834 (CHEMBL1806759) Show SMILES Cn1c(OCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50420972 (CHEMBL2088309) Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50420978 (8-Phenoxymethylcaffeine (8a) | CHEMBL2088299) Show SMILES Cn1c(COc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O3/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane in presence of GTP by GTP shift assay				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50306696 (8-Benzyloxycaffeine | CHEMBL602259 | cid_223566) Show SMILES Cn1c(OCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O3/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50359571 (CHEMBL1927666) Show SMILES Cn1c(SCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50259318 (8-(Benzylamino)Caffeine | CHEMBL1451750) Show SMILES Cn1c(NCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H17N5O2/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)16-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50359571 (CHEMBL1927666) Show SMILES Cn1c(SCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50420972 (CHEMBL2088309) Show SMILES Cn1c(CSc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H16N4O2S/c1-17-11(9-22-10-7-5-4-6-8-10)16-13-12(17)14(20)19(3)15(21)18(13)2/h4-8H,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50420983 (CHEMBL2088306) Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50259318 (8-(Benzylamino)Caffeine | CHEMBL1451750) Show SMILES Cn1c(NCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H17N5O2/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)16-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50348834 (CHEMBL1806759) Show SMILES Cn1c(OCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50420970 (CHEMBL2088316) Show SMILES Cn1c(CSc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11(8-23-10-6-4-9(16)5-7-10)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]NECA from adenosine receptor A2a in rat striatial membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50359574 (CHEMBL1927669) Show SMILES Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM10849 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...) Show SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of N6-[3H]cyclohexyladenosine from adenosine receptor A1 in rat cerebral cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50359574 (CHEMBL1927669) Show SMILES Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C15H15ClN4O2S/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-8-9-4-6-10(16)7-5-9/h4-7H,8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Excellence for Pharmaceutical Sciences, School of Pharmacy, North-West University, Private Bag X6001, Potchefstroom, 2520, South Africa. Electronic address: dalenevanderwalt@gmail.com. Curated by ChEMBL					Assay Description Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane				Eur J Med Chem 125: 652-656 (2017) Article DOI: 10.1016/j.ejmech.2016.09.072 BindingDB Entry DOI: 10.7270/Q2QV3PZQ
					More data for this Ligand-Target Pair