Compile Data Set for Download or QSAR

Found 240 hits Enz. Inhib. hit(s) with all data for entry = 50010304   

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))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat adenosine A2a receptor				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537246 (CHEMBL4521517) Show SMILES Cn1c2nc3N(Cc4c(F)cccc4Cl)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17ClFN5O2/c1-21-14-13(15(25)22(2)17(21)26)24-8-4-7-23(16(24)20-14)9-10-11(18)5-3-6-12(10)19/h3,5-6H,4,7-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537256 (CHEMBL4563397) Show SMILES Cn1c2nc3N(Cc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H16BrN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-7-6-21(15(22)18-13)9-10-4-3-5-11(17)8-10/h3-5,8H,6-7,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50537256 (CHEMBL4563397) Show SMILES Cn1c2nc3N(Cc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H16BrN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-7-6-21(15(22)18-13)9-10-4-3-5-11(17)8-10/h3-5,8H,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	396	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50212816 (9-(3-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...) Show SMILES Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-8-4-7-22(16(23)19-14)10-11-5-3-6-12(18)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	432	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50537281 (CHEMBL4531455) Show SMILES Cn1c2nc3N(Cc4cc(Br)ccc4F)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17BrFN5O2/c1-21-14-13(15(25)22(2)17(21)26)24-7-3-6-23(16(24)20-14)9-10-8-11(18)4-5-12(10)19/h4-5,8H,3,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	486	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537275 (CHEMBL4570974) Show SMILES COc1ccc(Cl)c(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1F Show InChI InChI=1S/C18H19ClFN5O3/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-7-24(17(25)21-15)9-10-11(19)5-6-12(28-3)13(10)20/h5-6H,4,7-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	627	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50537261 (CHEMBL4579508) Show SMILES Cn1c2nc3N(Cc4cccc(Br)c4)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20BrN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-9-4-3-8-23(17(24)20-15)11-12-6-5-7-13(19)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	651	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537265 (CHEMBL4559410) Show SMILES Cn1c2nc3N(Cc4ccccc4Br)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20BrN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-10-6-5-9-23(17(24)20-15)11-12-7-3-4-8-13(12)19/h3-4,7-8H,5-6,9-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	767	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537262 (CHEMBL4554404) Show SMILES COc1ccccc1CN1CCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C17H19N5O3/c1-19-14-13(15(23)20(2)17(19)24)22-9-8-21(16(22)18-14)10-11-6-4-5-7-12(11)25-3/h4-7H,8-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	784	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50212816 (9-(3-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydro...) Show SMILES Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-8-4-7-22(16(23)19-14)10-11-5-3-6-12(18)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	802	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from rat adenosine A2a receptor				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	841	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537253 (CHEMBL4550899) Show SMILES Cn1c2nc3N(Cc4ccccc4Cl)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20ClN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-10-6-5-9-23(17(24)20-15)11-12-7-3-4-8-13(12)19/h3-4,7-8H,5-6,9-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	881	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537280 (CHEMBL4573517) Show SMILES Cn1c2nc3N(Cc4ccccc4Br)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H16BrN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-8-7-21(15(22)18-13)9-10-5-3-4-6-11(10)17/h3-6H,7-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	887	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50537275 (CHEMBL4570974) Show SMILES COc1ccc(Cl)c(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1F Show InChI InChI=1S/C18H19ClFN5O3/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-7-24(17(25)21-15)9-10-11(19)5-6-12(28-3)13(10)20/h5-6H,4,7-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50537260 (CHEMBL4560961) Show SMILES Cn1c2nc3N(Cc4cc(ccc4Cl)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H17ClF3N5O2/c1-24-14-13(15(28)25(2)17(24)29)27-7-3-6-26(16(27)23-14)9-10-8-11(18(20,21)22)4-5-12(10)19/h4-5,8H,3,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	931	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50537259 (CHEMBL4549927) Show SMILES COc1ccccc1CN1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-11-7-6-10-23(18(24)20-16)12-13-8-4-5-9-14(13)27-3/h4-5,8-9H,6-7,10-12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	959	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50537252 (CHEMBL4537668) Show SMILES Cn1c2nc3N(Cc4cccc(Br)c4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H18BrN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-8-4-7-22(16(23)19-14)10-11-5-3-6-12(18)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	965	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50537278 (CHEMBL4533073) Show SMILES Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17BrFN5O2/c1-21-14-13(15(25)22(2)17(21)26)24-7-3-6-23(16(24)20-14)9-10-4-5-12(19)11(18)8-10/h4-5,8H,3,6-7,9H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50537275 (CHEMBL4570974) Show SMILES COc1ccc(Cl)c(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1F Show InChI InChI=1S/C18H19ClFN5O3/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-7-24(17(25)21-15)9-10-11(19)5-6-12(28-3)13(10)20/h5-6H,4,7-9H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50537248 (CHEMBL4544530) Show SMILES Cn1c2nc3N(Cc4ccc(F)c(Br)c4)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H19BrFN5O2/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-3-7-24(17(25)21-15)10-11-5-6-13(20)12(19)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537257 (CHEMBL4573063) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)cc4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H16ClN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-8-7-21(15(22)18-13)9-10-3-5-11(17)6-4-10/h3-6H,7-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537250 (CHEMBL4517925) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)cc4F)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17ClFN5O2/c1-21-14-13(15(25)22(2)17(21)26)24-7-3-6-23(16(24)20-14)9-10-4-5-11(18)8-12(10)19/h4-5,8H,3,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537261 (CHEMBL4579508) Show SMILES Cn1c2nc3N(Cc4cccc(Br)c4)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20BrN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-9-4-3-8-23(17(24)20-15)11-12-6-5-7-13(19)10-12/h5-7,10H,3-4,8-9,11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537255 (CHEMBL4535750) Show SMILES Cn1c2nc3N(Cc4ccccc4Br)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H18BrN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-5-8-22(16(23)19-14)10-11-6-3-4-7-12(11)18/h3-4,6-7H,5,8-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50537277 (CHEMBL4521398) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H15Cl2N5O2/c1-20-13-12(14(24)21(2)16(20)25)23-6-5-22(15(23)19-13)8-9-3-4-10(17)11(18)7-9/h3-4,7H,5-6,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50537268 (CHEMBL4569183) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H19Cl2N5O2/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-3-7-24(17(25)21-15)10-11-5-6-12(19)13(20)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50537259 (CHEMBL4549927) Show SMILES COc1ccccc1CN1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-11-7-6-10-23(18(24)20-16)12-13-8-4-5-9-14(13)27-3/h4-5,8-9H,6-7,10-12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50537269 (CHEMBL4483563) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)cc4Cl)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H19Cl2N5O2/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-3-7-24(17(25)21-15)10-11-5-6-12(19)9-13(11)20/h5-6,9H,3-4,7-8,10H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537256 (CHEMBL4563397) Show SMILES Cn1c2nc3N(Cc4cccc(Br)c4)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H16BrN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-7-6-21(15(22)18-13)9-10-4-3-5-11(17)8-10/h3-5,8H,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537280 (CHEMBL4573517) Show SMILES Cn1c2nc3N(Cc4ccccc4Br)CCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C16H16BrN5O2/c1-19-13-12(14(23)20(2)16(19)24)22-8-7-21(15(22)18-13)9-10-5-3-4-6-11(10)17/h3-6H,7-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537262 (CHEMBL4554404) Show SMILES COc1ccccc1CN1CCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C17H19N5O3/c1-19-14-13(15(23)20(2)17(19)24)22-9-8-21(16(22)18-14)10-11-6-4-5-7-12(11)25-3/h4-7H,8-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537270 (CHEMBL4540760) Show SMILES Cn1c2nc3N(Cc4ccccc4F)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H18FN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-9-5-8-22(16(23)19-14)10-11-6-3-4-7-12(11)18/h3-4,6-7H,5,8-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537254 (CHEMBL4579395) Show SMILES Cn1c2nc3N(Cc4ccc(F)cc4Cl)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H17ClFN5O2/c1-21-14-13(15(25)22(2)17(21)26)24-7-3-6-23(16(24)20-14)9-10-4-5-11(19)8-12(10)18/h4-5,8H,3,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537271 (CHEMBL4576786) Show SMILES Cn1c2nc3N(Cc4cc(F)c(F)c(F)c4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H16F3N5O2/c1-22-14-13(15(26)23(2)17(22)27)25-5-3-4-24(16(25)21-14)8-9-6-10(18)12(20)11(19)7-9/h6-7H,3-5,8H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537272 (CHEMBL4574105) Show SMILES Cn1c2nc3N(Cc4cccs4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C15H17N5O2S/c1-17-12-11(13(21)18(2)15(17)22)20-7-4-6-19(14(20)16-12)9-10-5-3-8-23-10/h3,5,8H,4,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537258 (CHEMBL4580206) Show SMILES Cn1c2nc3N(CCc4ccncc4)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C17H20N6O2/c1-20-14-13(15(24)21(2)17(20)25)23-10-3-9-22(16(23)19-14)11-6-12-4-7-18-8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537273 (CHEMBL4574192) Show SMILES COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1Cl Show InChI InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-8-4-7-23(17(24)20-15)10-11-5-6-13(27-3)12(19)9-11/h5-6,9H,4,7-8,10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537274 (CHEMBL4554986) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)c(c4)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H17ClF3N5O2/c1-24-14-13(15(28)25(2)17(24)29)27-7-3-6-26(16(27)23-14)9-10-4-5-12(19)11(8-10)18(20,21)22/h4-5,8H,3,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537275 (CHEMBL4570974) Show SMILES COc1ccc(Cl)c(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1F Show InChI InChI=1S/C18H19ClFN5O3/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-7-24(17(25)21-15)9-10-11(19)5-6-12(28-3)13(10)20/h5-6H,4,7-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537260 (CHEMBL4560961) Show SMILES Cn1c2nc3N(Cc4cc(ccc4Cl)C(F)(F)F)CCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H17ClF3N5O2/c1-24-14-13(15(28)25(2)17(24)29)27-7-3-6-26(16(27)23-14)9-10-8-11(18(20,21)22)4-5-12(10)19/h4-5,8H,3,6-7,9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537251 (CHEMBL4558859) Show SMILES Cc1ccccc1CN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C18H21N5O2/c1-12-7-4-5-8-13(12)11-22-9-6-10-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h4-5,7-8H,6,9-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537276 (CHEMBL4563999) Show SMILES Cc1cccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)c1 Show InChI InChI=1S/C18H21N5O2/c1-12-6-4-7-13(10-12)11-22-8-5-9-23-14-15(19-17(22)23)20(2)18(25)21(3)16(14)24/h4,6-7,10H,5,8-9,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537266 (CHEMBL4530654) Show SMILES Cn1c2nc3N(Cc4ccccc4F)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20FN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-10-6-5-9-23(17(24)20-15)11-12-7-3-4-8-13(12)19/h3-4,7-8H,5-6,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537268 (CHEMBL4569183) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)c(Cl)c4)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H19Cl2N5O2/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-3-7-24(17(25)21-15)10-11-5-6-12(19)13(20)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537265 (CHEMBL4559410) Show SMILES Cn1c2nc3N(Cc4ccccc4Br)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H20BrN5O2/c1-21-15-14(16(25)22(2)18(21)26)24-10-6-5-9-23(17(24)20-15)11-12-7-3-4-8-13(12)19/h3-4,7-8H,5-6,9-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537259 (CHEMBL4549927) Show SMILES COc1ccccc1CN1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 Show InChI InChI=1S/C19H23N5O3/c1-21-16-15(17(25)22(2)19(21)26)24-11-7-6-10-23(18(24)20-16)12-13-8-4-5-9-14(13)27-3/h4-5,8-9H,6-7,10-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50537269 (CHEMBL4483563) Show SMILES Cn1c2nc3N(Cc4ccc(Cl)cc4Cl)CCCCn3c2c(=O)n(C)c1=O Show InChI InChI=1S/C18H19Cl2N5O2/c1-22-15-14(16(26)23(2)18(22)27)25-8-4-3-7-24(17(25)21-15)10-11-5-6-12(19)9-13(11)20/h5-6,9H,3-4,7-8,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 27: 1195-1210 (2019) Article DOI: 10.1016/j.bmc.2019.02.004 BindingDB Entry DOI: 10.7270/Q2ZS312P
					More data for this Ligand-Target Pair

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