Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'de groote' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369514 (CHEMBL605266) Show SMILES CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-22-12(28)6-11-14(29)15(30)18(31-11)27-8-24-13-16(25-19(20)26-17(13)27)23-7-9-3-2-4-10(21)5-9/h2-5,8,11,14-15,18,29-30H,6-7H2,1H3,(H,22,28)(H,23,25,26)/t11-,14+,15+,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369512 (CHEMBL605054) Show SMILES CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C19H21IN6O4/c1-21-13(27)6-12-15(28)16(29)19(30-12)26-9-25-14-17(23-8-24-18(14)26)22-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,15-16,19,28-29H,6-7H2,1H3,(H,21,27)(H,22,23,24)/t12-,15+,16+,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50067081 (9-Fluoro-2-furan-2-yl-5,6-dihydro-[1,2,4]triazolo[...) Show SMILES Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8FN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50088475 (1-(2-Methoxy-phenyl)-3-(2-pyridin-3-yl-quinazolin-...) Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1 Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from rat cortical membranes Adenosine A1 receptor				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	7.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Affinity towards adenosine A1 receptor from rat cortical membranes using [3H]DPCPX				J Med Chem 44: 2966-75 (2001) BindingDB Entry DOI: 10.7270/Q2J38T85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50370152 (CHEMBL610150) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CC(=O)NCc2cccc(I)c2Cl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18ClIN6O4/c19-12-8(2-1-3-9(12)20)5-22-11(27)4-10-14(28)15(29)18(30-10)26-7-25-13-16(21)23-6-24-17(13)26/h1-3,6-7,10,14-15,18,28-29H,4-5H2,(H,22,27)(H2,21,23,24)/t10-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement.				J Med Chem 45: 420-9 (2002) BindingDB Entry DOI: 10.7270/Q2Q52QBS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097451 (4-Hydroxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES Oc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C15H11N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-9,19H,(H,16,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369503 (CHEMBL606312) Show SMILES O[C@@H]1[C@H](O)C(O[C@@H]1c1ccon1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H16ClIN6O4/c20-19-24-16(22-7-9-2-1-3-10(21)6-9)12-17(25-19)27(8-23-12)18-14(29)13(28)15(31-18)11-4-5-30-26-11/h1-6,8,13-15,18,28-29H,7H2,(H,22,24,25)/t13-,14+,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Affinity towards adenosine A1 receptor from rat cortical membranes using [3H]DPCPX				J Med Chem 44: 2966-75 (2001) BindingDB Entry DOI: 10.7270/Q2J38T85
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369509 (CHEMBL605885) Show SMILES CCNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NNc3ccc(cc3)S(N)(=O)=O)ncnc12 |r| Show InChI InChI=1S/C19H24N8O6S/c1-2-21-13(28)7-12-15(29)16(30)19(33-12)27-9-24-14-17(22-8-23-18(14)27)26-25-10-3-5-11(6-4-10)34(20,31)32/h3-6,8-9,12,15-16,19,25,29-30H,2,7H2,1H3,(H,21,28)(H2,20,31,32)(H,22,23,26)/t12-,15+,16+,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]-AB MECA displacement.				J Med Chem 45: 420-9 (2002) BindingDB Entry DOI: 10.7270/Q2Q52QBS
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50039676 (4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6...) Show SMILES CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C23H27FN4O6S/c1-2-12-28-21(29)18-20(26-19(25-18)15-6-3-4-7-15)27(23(28)31)13-5-14-34-22(30)16-8-10-17(11-9-16)35(24,32)33/h8-11,15H,2-7,12-14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity towards rat Adenosine A1 receptor using [3H]-DPCPX				Bioorg Med Chem Lett 11: 815-8 (2001) BindingDB Entry DOI: 10.7270/Q2TB17FM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from Adenosine A2A receptor in rat striatal membrane				J Med Chem 45: 420-9 (2002) BindingDB Entry DOI: 10.7270/Q2Q52QBS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity at Adenosine A2A receptor in rat striatal membrane by [3H]ZM-241385 displacement.				J Med Chem 45: 420-9 (2002) BindingDB Entry DOI: 10.7270/Q2Q52QBS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50067116 (4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101787 (4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide | CHE...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H11ClN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50067081 (9-Fluoro-2-furan-2-yl-5,6-dihydro-[1,2,4]triazolo[...) Show SMILES Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8FN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101782 (4-Nitro-N-(4-phenyl-thiazol-2-yl)-benzamide | CHEM...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H11N3O3S/c20-15(12-6-8-13(9-7-12)19(21)22)18-16-17-14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097441 (4-Methoxy-N-(2-phenyl-quinazolin-4-yl)-benzamide |...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)22(26)25-21-18-9-5-6-10-19(18)23-20(24-21)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097436 (4-Methyl-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benza...) Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15(20)18-16-17-14(19-21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097440 (CHEMBL165783 | N-(3-Phenyl-[1,2,4]thiadiazol-5-yl)...) Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H11N3OS/c19-14(12-9-5-2-6-10-12)17-15-16-13(18-20-15)11-7-3-1-4-8-11/h1-10H,(H,16,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369515 (CHEMBL604636) Show SMILES COc1cccc(CNc2nc(Cl)nc3n(cnc23)C2O[C@@H]([C@H](O)[C@@H]2O)c2ccon2)c1 |r| Show InChI InChI=1S/C20H19ClN6O5/c1-30-11-4-2-3-10(7-11)8-22-17-13-18(25-20(21)24-17)27(9-23-13)19-15(29)14(28)16(32-19)12-5-6-31-26-12/h2-7,9,14-16,19,28-29H,8H2,1H3,(H,22,24,25)/t14-,15+,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097432 ((Cis)-4-Methoxy-cyclohexanecarboxylic acid (3-phen...) Show SMILES COC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(11.74,-12.58,;11.74,-11.03,;10.26,-10.63,;9.83,-9.57,;8.52,-8.82,;9.01,-7.58,;9.36,-8.59,;10.73,-9.39,;9.01,-6.26,;10.16,-5.6,;7.86,-5.6,;7.86,-4.26,;9.08,-3.7,;9.08,-2.15,;6.66,-2.15,;6.66,-3.56,;10.19,-1.04,;9.76,.44,;10.84,1.54,;12.37,1.17,;12.77,-.34,;11.69,-1.44,)| Show InChI InChI=1S/C16H19N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097432 ((Cis)-4-Methoxy-cyclohexanecarboxylic acid (3-phen...) Show SMILES COC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(11.74,-12.58,;11.74,-11.03,;10.26,-10.63,;9.83,-9.57,;8.52,-8.82,;9.01,-7.58,;9.36,-8.59,;10.73,-9.39,;9.01,-6.26,;10.16,-5.6,;7.86,-5.6,;7.86,-4.26,;9.08,-3.7,;9.08,-2.15,;6.66,-2.15,;6.66,-3.56,;10.19,-1.04,;9.76,.44,;10.84,1.54,;12.37,1.17,;12.77,-.34,;11.69,-1.44,)| Show InChI InChI=1S/C16H19N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101783 (4-Bromo-N-(4-phenyl-thiazol-2-yl)-benzamide | CHEM...) Show SMILES Brc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H11BrN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101781 (4-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide | CHE...) Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)16(20)19-17-18-15(11-21-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101790 (CHEMBL60334 | N-(4-Phenyl-thiazol-2-yl)-benzamide) Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-14(11-20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097442 (4-Chloro-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benza...) Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C15H10ClN3OS/c16-12-8-6-11(7-9-12)14(20)18-15-17-13(19-21-15)10-4-2-1-3-5-10/h1-9H,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369511 (CHEMBL605468) Show SMILES CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C19H22N6O4/c1-20-13(26)7-12-15(27)16(28)19(29-12)25-10-24-14-17(22-9-23-18(14)25)21-8-11-5-3-2-4-6-11/h2-6,9-10,12,15-16,19,27-28H,7-8H2,1H3,(H,20,26)(H,21,22,23)/t12-,15+,16+,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Binding affinity athuman Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement.				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097426 ((Cis)-4-Hydroxy-cyclohexanecarboxylic acid (3-phen...) Show SMILES OC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(9.15,-12.04,;10.26,-10.94,;9.83,-9.87,;8.52,-9.13,;9.01,-7.88,;9.36,-8.89,;10.73,-9.69,;9.01,-6.57,;10.16,-5.91,;7.86,-5.91,;7.86,-4.57,;9.08,-4,;9.08,-2.45,;6.66,-2.45,;6.66,-3.86,;10.19,-1.35,;11.69,-1.75,;12.77,-.64,;12.37,.86,;10.84,1.25,;9.76,.13,)| Show InChI InChI=1S/C15H17N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H,16,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097426 ((Cis)-4-Hydroxy-cyclohexanecarboxylic acid (3-phen...) Show SMILES OC1CCC(CC1)C(=O)Nc1nc(ns1)-c1ccccc1 |(9.15,-12.04,;10.26,-10.94,;9.83,-9.87,;8.52,-9.13,;9.01,-7.88,;9.36,-8.89,;10.73,-9.69,;9.01,-6.57,;10.16,-5.91,;7.86,-5.91,;7.86,-4.57,;9.08,-4,;9.08,-2.45,;6.66,-2.45,;6.66,-3.86,;10.19,-1.35,;11.69,-1.75,;12.77,-.64,;12.37,.86,;10.84,1.25,;9.76,.13,)| Show InChI InChI=1S/C15H17N3O2S/c19-12-8-6-11(7-9-12)14(20)17-15-16-13(18-21-15)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2,(H,16,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101786 (2,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide |...) Show SMILES Clc1ccc(C(=O)Nc2nc(cs2)-c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C16H10Cl2N2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101784 (3,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide |...) Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Ability to displace [3H]DPCPX from Adenosine A1 receptor in rat cortical membrane				J Med Chem 45: 420-9 (2002) BindingDB Entry DOI: 10.7270/Q2Q52QBS
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097431 (4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097431 (4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50088465 (1-Phenyl-3-(3-pyridin-2-yl-isoquinolin-1-yl)-urea ...) Show SMILES O=C(Nc1ccccc1)Nc1nc(cc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C21H16N4O/c26-21(23-16-9-2-1-3-10-16)25-20-17-11-5-4-8-15(17)14-19(24-20)18-12-6-7-13-22-18/h1-14H,(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097446 (4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097446 (4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from human Adenosine A3 receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50097423 (4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]-AB MECA from human Adenosine A3 receptor expressed in HEK 293 cells				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50101789 (3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide | CHE...) Show SMILES Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-14(10-21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane				Bioorg Med Chem Lett 11: 2017-9 (2001) BindingDB Entry DOI: 10.7270/Q2HM57QP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50097452 (CHEMBL354004 | [4-(3-Phenyl-[1,2,4]thiadiazol-5-yl...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C17H13N3O4S/c21-14(22)10-24-13-8-6-12(7-9-13)16(23)19-17-18-15(20-25-17)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,22)(H,18,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50067082 ((2-Amino-ethyl)-carbamic acid 4-(2,6-dioxo-1,3-dip...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O5/c1-3-11-26-18-16(19(28)27(12-4-2)21(26)30)24-17(25-18)14-5-7-15(8-6-14)31-13-32-20(29)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,29)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 43: 2227-38 (2000) BindingDB Entry DOI: 10.7270/Q2T72GNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50207816 (CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 44: 749-62 (2001) BindingDB Entry DOI: 10.7270/Q2H132Q0
					More data for this Ligand-Target Pair

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