Compile Data Set for Download or QSAR

Found 126 hits of affinity data for UniProtKB/TrEMBL: Q60613   

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 (Mus musculus)	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	808	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell m...				J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 BindingDB Entry DOI: 10.7270/Q2TM7FGK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50397728 (CHEMBL2181976) Show SMILES Cc1cc(C)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1 Show InChI InChI=1S/C22H18N4OS/c1-14-10-15(2)12-18(11-14)19-20(16-5-8-23-9-6-16)28-22(25-19)26-21(27)17-4-3-7-24-13-17/h3-13H,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] ZM241385 from mouse adenosine A2A receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00685 BindingDB Entry DOI: 10.7270/Q2930Z2X
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Adenosine receptor A2a (Mus musculus)	BDBM50085658 ((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r| Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	988	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell m...				J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 BindingDB Entry DOI: 10.7270/Q2TM7FGK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50118812 ((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50163031 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(2,2-diphenylethyla...) Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C27H27ClN6O3/c1-29-25(37)27-12-18(27)20(21(35)22(27)36)34-14-31-19-23(32-26(28)33-24(19)34)30-13-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-18,20-22,35-36H,12-13H2,1H3,(H,29,37)(H,30,32,33)/t18-,20-,21+,22+,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50517307 (CHEMBL4463802) Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12)C(=O)NC1CC1 |r,TLB:14:15:20.19:23| Show InChI InChI=1S/C22H27ClN6O3/c23-21-27-18(26-13-6-9-1-2-10(13)5-9)14-19(28-21)29(8-24-14)15-12-7-22(12,17(31)16(15)30)20(32)25-11-3-4-11/h8-13,15-17,30-31H,1-7H2,(H,25,32)(H,26,27,28)/t9-,10+,12+,13-,15+,16-,17-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell m...				J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 BindingDB Entry DOI: 10.7270/Q2TM7FGK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50517302 (CHEMBL4562258) Show SMILES [H][C@]12CC[C@]([H])(C1)C(C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,TLB:9:7:3.2:6| Show InChI InChI=1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8-,9+,10?,11+,13+,14+,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Wisconsin Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell m...				J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 BindingDB Entry DOI: 10.7270/Q2TM7FGK
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50100418 ((1S,2R,3S,4R,5S)-4-(6-(3-iodobenzylamino)-2-chloro...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C20H20ClIN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(21)27-17(12)28)24-7-9-3-2-4-10(22)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50163025 ((1S,2R,3S,4R,5S)-4-(6-(3-bromobenzylamino)-2-chlor...) Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Br)c3)nc(Cl)nc12 Show InChI InChI=1S/C20H20BrClN6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM21221 ((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...) Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50086170 ((4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-di...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from recombinant mouse A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillatio...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
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Adenosine receptor A2a (Mus musculus)	BDBM50042209 (4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(O)(=O)=O Show InChI InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universitat Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from recombinant mouse A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillatio...				J Med Chem 62: 4032-4055 (2019) Article DOI: 10.1021/acs.jmedchem.9b00071 BindingDB Entry DOI: 10.7270/Q22Z18VS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50163020 ((1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chlo...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50100416 ((1S,2R,3S,4R,5S)-4-(2-Chloro-6-methylamino-purin-9...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC)nc(Cl)nc12 Show InChI InChI=1S/C14H17ClN6O3/c1-16-10-6-11(20-13(15)19-10)21(4-18-6)7-5-3-14(5,12(24)17-2)9(23)8(7)22/h4-5,7-9,22-23H,3H2,1-2H3,(H,17,24)(H,16,19,20)/t5-,7-,8+,9+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50163004 ((1S,2R,3S,4R,5S)-4-(2-chloro-6-(2-phenylcyclopropy...) Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CC3c3ccccc3)nc(Cl)nc12 Show InChI InChI=1S/C22H23ClN6O3/c1-24-20(32)22-8-12(22)15(16(30)17(22)31)29-9-25-14-18(27-21(23)28-19(14)29)26-13-7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13,15-17,30-31H,7-8H2,1H3,(H,24,32)(H,26,27,28)/t11?,12-,13?,15-,16+,17+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.82E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM50163014 ((1S,2R,3S,4R,5S)-4-(6-(2,5-dimethoxybenzylamino)-2...) Show SMILES CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(OC)ccc3OC)nc(Cl)nc12 Show InChI InChI=1S/C22H25ClN6O5/c1-24-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(23)28-19(14)29)25-8-10-6-11(33-2)4-5-13(10)34-3/h4-6,9,12,15-17,30-31H,7-8H2,1-3H3,(H,24,32)(H,25,27,28)/t12-,15-,16+,17+,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenyl-ethylamino]-5'-N-ethylcarboxamidoadenosine from mouse recombinant adenosine A2A receptor expressed in...				Bioorg Med Chem Lett 18: 2813-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.001 BindingDB Entry DOI: 10.7270/Q2XK8GFH
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474329 (7-(3-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1ccc(F)n1 Show InChI InChI=1S/C22H16F2N10/c1-12-10-27-18-5-4-13(11-32(12)18)19-20(33-8-6-16(24)30-33)29-22(25)34-21(19)28-17(31-34)9-15-14(23)3-2-7-26-15/h2-8,10-11H,9H2,1H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474284 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H18F2N8/c1-34-13-30-18-9-6-15(11-20(18)34)22-23(14-4-7-16(26)8-5-14)32-25(28)35-24(22)31-21(33-35)12-19-17(27)3-2-10-29-19/h2-11,13H,12H2,1H3,(H2,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474223 (2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...) Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474328 (7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-met hyl...) Show SMILES COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN7O/c1-13-11-25-18-8-5-15(12-29(13)18)19-20(14-3-6-16(23)7-4-14)27-22(24)30-21(19)26-17(28-30)9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474287 (2-((3-(difluoromethoxy)pyridin-2-yl)methyl)-7- (4-...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12 Show InChI InChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474330 (7-(4-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1cc(F)cn1 Show InChI InChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474281 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3c(F)cccc3F)nn12 Show InChI InChI=1S/C25H19F3N6O2/c26-16-7-4-14(5-8-16)23-22(15-6-9-21(36)33(13-15)10-11-35)24-30-20(32-34(24)25(29)31-23)12-17-18(27)2-1-3-19(17)28/h1-9,13,35H,10-12H2,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474233 (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474222 (5-(5-amino-2-(2,6-difluorobenzyl)-7-(4- fluorophen...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H17F3N6O/c1-32-12-14(7-10-20(32)34)21-22(13-5-8-15(25)9-6-13)30-24(28)33-23(21)29-19(31-33)11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474309 (2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimi da...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C22H16FN9O/c1-12-10-27-17-5-4-13(11-31(12)17)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-16(30-32)9-15-14(23)3-2-6-25-15/h2-8,10-11H,9H2,1H3,(H2,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474292 (5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2- y...) Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C23H19F2N7O2/c1-12(2)31-11-13(6-7-18(31)33)19-20(22-27-8-9-34-22)29-23(26)32-21(19)28-17(30-32)10-14-15(24)4-3-5-16(14)25/h3-9,11-12H,10H2,1-2H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474315 (7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] pyrid...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(CC3CCOC3)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474316 (7-(4-fluorophenyl)-8-(3-methylimidazo[l,2-a] pyrid...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCOC3)nc12)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474288 (2-((3-(difluoromethoxy)pyridin-2-yl)methyI)-8- (im...) Show SMILES Nc1nc(-c2ncco2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12 Show InChI InChI=1S/C21H14F2N10O2/c22-20(23)35-13-2-1-5-25-12(13)8-14-28-18-16(11-3-4-15-30-27-10-32(15)9-11)17(19-26-6-7-34-19)29-21(24)33(18)31-14/h1-7,9-10,20H,8H2,(H2,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474300 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C26H17F2N7/c27-18-8-5-15(6-9-18)24-23(17-7-10-20-16(13-17)3-1-11-30-20)25-32-22(34-35(25)26(29)33-24)14-21-19(28)4-2-12-31-21/h1-13H,14H2,(H2,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474245 (2-(2,6-difluorobenzyl)-7-(4-fluorophenyl)-8-(2- me...) Show SMILES COc1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H17F3N6O/c1-34-20-11-14(9-10-29-20)21-22(13-5-7-15(25)8-6-13)31-24(28)33-23(21)30-19(32-33)12-16-17(26)3-2-4-18(16)27/h2-11H,12H2,1H3,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474335 ((S)-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] p...) Show SMILES CN1CCC[C@H]1Cc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN8/c1-15-13-28-21-10-7-17(14-33(15)21)22-23(16-5-8-18(26)9-6-16)30-25(27)34-24(22)29-20(31-34)12-19-4-3-11-32(19)2/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H2,27,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474299 (8-(benzo[d]thiazol-6-yl)-7-(4-fluorophenyl)-2- ((3...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C24H15F2N7S/c25-15-6-3-13(4-7-15)22-21(14-5-8-17-19(10-14)34-12-29-17)23-30-20(32-33(23)24(27)31-22)11-18-16(26)2-1-9-28-18/h1-10,12H,11H2,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474334 (2-(2,6-difluorobenzyl)-8-(3-methylimidazo[l,2-a] p...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCOCC1 Show InChI InChI=1S/C24H22F2N8O/c1-14-12-28-20-6-5-15(13-33(14)20)21-22(32-7-9-35-10-8-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)3-2-4-18(16)26/h2-6,12-13H,7-11H2,1H3,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474258 (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(c2)C2CCOC2)c2nc(Cc3c(F)cccc3F)nn12 Show InChI InChI=1S/C27H21F3N6O2/c28-17-7-4-15(5-8-17)25-24(16-6-9-23(37)35(13-16)18-10-11-38-14-18)26-32-22(34-36(26)27(31)33-25)12-19-20(29)2-1-3-21(19)30/h1-9,13,18H,10-12,14H2,(H2,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474230 (5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19F2N7O/c1-2-32-13-15(7-10-20(32)34)21-22(14-5-8-16(25)9-6-14)30-24(27)33-23(21)29-19(31-33)12-18-17(26)4-3-11-28-18/h3-11,13H,2,12H2,1H3,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474310 (2-((3*fluoropyridin-2-yl)methyl)-N7,N7-dimethy l-8...) Show SMILES CN(C)c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc2ncc(C)n2c1 Show InChI InChI=1S/C21H20FN9/c1-12-10-25-17-7-6-13(11-30(12)17)18-19(29(2)3)27-21(23)31-20(18)26-16(28-31)9-15-14(22)5-4-8-24-15/h4-8,10-11H,9H2,1-3H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474301 (2-((3-fluoropyridin-2-yl)methyl)-8-(1-methyl-1H- b...) Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C22H16FN9O/c1-31-11-27-14-5-4-12(9-16(14)31)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-17(30-32)10-15-13(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474337 (7-(azetidin-l-yl)-2-(2,6-difluorobenzyl)-8-(3-met ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCC1 Show InChI InChI=1S/C23H20F2N8/c1-13-11-27-19-7-6-14(12-32(13)19)20-21(31-8-3-9-31)29-23(26)33-22(20)28-18(30-33)10-15-16(24)4-2-5-17(15)25/h2,4-7,11-12H,3,8-10H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474293 (5-(5-amino-2-((3-fluoropyridin-2-yl)methyl)-7- (ox...) Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C22H19FN8O2/c1-12(2)30-11-13(5-6-17(30)32)18-19(21-26-8-9-33-21)28-22(24)31-20(18)27-16(29-31)10-15-14(23)4-3-7-25-15/h3-9,11-12H,10H2,1-2H3,(H2,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474224 (5-(5-amino-2-[[3-(difluoromethoxy)pyridin-2-yl] me...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3OC(F)F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H18F3N7O2/c1-33-12-14(6-9-19(33)35)20-21(13-4-7-15(25)8-5-13)31-24(28)34-22(20)30-18(32-34)11-16-17(36-23(26)27)3-2-10-29-16/h2-10,12,23H,11H2,1H3,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474302 (2-(2,6-difluorobenzyl)-8-(1-methyl-1H-benzo[d] imi...) Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C23H16F2N8O/c1-32-11-28-16-6-5-12(9-17(16)32)19-20(22-27-7-8-34-22)30-23(26)33-21(19)29-18(31-33)10-13-14(24)3-2-4-15(13)25/h2-9,11H,10H2,1H3,(H2,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474263 (5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES Cc1cc(cn(C)c1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19F2N7O/c1-13-10-15(12-32(2)23(13)34)20-21(14-5-7-16(25)8-6-14)30-24(27)33-22(20)29-19(31-33)11-18-17(26)4-3-9-28-18/h3-10,12H,11H2,1-2H3,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474229 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C24H16F2N8/c25-16-6-3-14(4-7-16)22-21(15-5-8-20-29-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-18-17(26)2-1-9-28-18/h1-11,13H,12H2,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474314 ((R)-7-(4-fluorophenyl)-8-(1-methyl-1H-benzo[d] imi...) Show SMILES CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474273 (5-(5-amino-2-(2,6-difluorobenzyl)-7-(thiazol-2- yl...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1nccs1 Show InChI InChI=1S/C21H15F2N7OS/c1-29-10-11(5-6-16(29)31)17-18(20-25-7-8-32-20)27-21(24)30-19(17)26-15(28-30)9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474285 (5-(5-amino-2-[[3-(difluoromethoxy)pyridin-2-yl] me...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3OC(F)F)nc12)-c1ncco1 Show InChI InChI=1S/C21H16F2N8O3/c1-30-10-11(4-5-15(30)32)16-17(19-26-7-8-33-19)28-21(24)31-18(16)27-14(29-31)9-12-13(34-20(22)23)3-2-6-25-12/h2-8,10,20H,9H2,1H3,(H2,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474231 (6-[[5-amino-7-(4-fluorophenyl)-8-[imidazo[1,2-a] p...) Show SMILES Nc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(nc(N)n3n2)-c2ccc(F)cc2)n1 Show InChI InChI=1S/C24H18FN9/c25-16-7-4-14(5-8-16)22-21(15-6-9-20-28-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-17-2-1-3-18(26)29-17/h1-11,13H,12H2,(H2,26,29)(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474305 (5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C24H19F2N7O2/c25-16-6-3-14(4-7-16)22-21(15-5-8-20(35)32(13-15)10-11-34)23-29-19(31-33(23)24(27)30-22)12-18-17(26)2-1-9-28-18/h1-9,13,34H,10-12H2,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair

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