Compile Data Set for Download or QSAR

Found 715 hits with Last Name = 'carlsson' and Initial = 'j'   

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 (Homo sapiens (Human))	BDBM50274075 (CHEMBL1561896) Show SMILES COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50274073 (CHEMBL4126651) Show SMILES Nc1nn(nc1C(=O)NCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C16H15N5O/c17-15-14(16(22)18-11-12-7-3-1-4-8-12)19-21(20-15)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,20)(H,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50274076 (CHEMBL1384623) Show SMILES Nc1nn(nc1C(=O)OCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C16H14N4O2/c17-15-14(16(21)22-11-12-7-3-1-4-8-12)18-20(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500484 (CHEMBL3745868) Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1 Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	33.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500484 (CHEMBL3745868) Show SMILES O=C(Nc1nc(cs1)C1CC1)c1cc2ccccc2s1 Show InChI InChI=1S/C15H12N2OS2/c18-14(13-7-10-3-1-2-4-12(10)20-13)17-15-16-11(8-19-15)9-5-6-9/h1-4,7-9H,5-6H2,(H,16,17,18)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50520046 (CHEMBL1340426) Show SMILES Nc1nc(nn1C(=O)c1ccco1)-c1ccccc1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(9-5-2-1-3-6-9)16-17(13)12(18)10-7-4-8-19-10/h1-8H,(H2,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1A receptor expressed in human CHO cell membranes incubated for 60 mins by scintillation counting met...				J Med Chem 63: 613-620 (2020) Article DOI: 10.1021/acs.jmedchem.9b01560 BindingDB Entry DOI: 10.7270/Q2WQ076H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50500487 (CHEMBL3747370) Show SMILES O=C(Nc1nc(cs1)C1CC1)c1ccoc1 Show InChI InChI=1S/C11H10N2O2S/c14-10(8-3-4-15-5-8)13-11-12-9(6-16-11)7-1-2-7/h3-7H,1-2H2,(H,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from rat cortical membrane adenosine A1 receptor by gamma-scintillation counting analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50274068 (CHEMBL1411671) Show SMILES Cc1ccccc1COC(=O)c1nn(nc1N)-c1ccccc1 Show InChI InChI=1S/C17H16N4O2/c1-12-7-5-6-8-13(12)11-23-17(22)15-16(18)20-21(19-15)14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86564 (Azanium analog, 56) Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	80	-40.1	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50060165 ((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...) Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50274069 (CHEMBL4128848) Show SMILES Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12 Show InChI InChI=1S/C14H10ClN3O/c15-10-7-4-8-11-12(10)17-14(16-11)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86569 (Azanium analog, 61) Show SMILES CC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86568 (Azanium analog, 60) Show SMILES C[C@H](O)C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86570 (Azanium analog, 62) Show SMILES CC(C)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392817 (CHEMBL2151129) Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)15(21)18-16-17-14(19-20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500487 (CHEMBL3747370) Show SMILES O=C(Nc1nc(cs1)C1CC1)c1ccoc1 Show InChI InChI=1S/C11H10N2O2S/c14-10(8-3-4-15-5-8)13-11-12-9(6-16-11)7-1-2-7/h3-7H,1-2H2,(H,12,13,14)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500487 (CHEMBL3747370) Show SMILES O=C(Nc1nc(cs1)C1CC1)c1ccoc1 Show InChI InChI=1S/C11H10N2O2S/c14-10(8-3-4-15-5-8)13-11-12-9(6-16-11)7-1-2-7/h3-7H,1-2H2,(H,12,13,14)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500492 (CHEMBL3746510) Show SMILES COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12 Show InChI InChI=1S/C17H12N2O2S2/c1-21-11-6-4-8-13-15(11)18-17(23-13)19-16(20)14-9-10-5-2-3-7-12(10)22-14/h2-9H,1H3,(H,18,19,20)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500492 (CHEMBL3746510) Show SMILES COc1cccc2sc(NC(=O)c3cc4ccccc4s3)nc12 Show InChI InChI=1S/C17H12N2O2S2/c1-21-11-6-4-8-13-15(11)18-17(23-13)19-16(20)14-9-10-5-2-3-7-12(10)22-14/h2-9H,1H3,(H,18,19,20)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50520046 (CHEMBL1340426) Show SMILES Nc1nc(nn1C(=O)c1ccco1)-c1ccccc1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(9-5-2-1-3-6-9)16-17(13)12(18)10-7-4-8-19-10/h1-8H,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method				J Med Chem 63: 613-620 (2020) Article DOI: 10.1021/acs.jmedchem.9b01560 BindingDB Entry DOI: 10.7270/Q2WQ076H
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM200215 (Adenosine receptor agonist, 11) Show SMILES CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[nH]c(=O)n(C)c(=O)c12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...				ACS Chem Biol 11: 2763-2772 (2016) Article DOI: 10.1021/acschembio.6b00357 BindingDB Entry DOI: 10.7270/Q2S75F5P
					More data for this Ligand-Target Pair
Transmembrane domain-containing protein TMIGD3 (Homo sapiens (Human))	BDBM50500490 (CHEMBL3747100) Show SMILES O=c1[nH]c(nc2scc(-c3ccco3)c12)-c1ccco1 Show InChI InChI=1S/C14H8N2O3S/c17-13-11-8(9-3-1-5-18-9)7-20-14(11)16-12(15-13)10-4-2-6-19-10/h1-7H,(H,15,16,17)	UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-SPAP cells incubated for 1 hr by fluorescence analysis				J Med Chem 58: 9578-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01120 BindingDB Entry DOI: 10.7270/Q25M68QC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM42435 ((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...) Show SMILES Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1 Show InChI InChI=1S/C17H16N4O2/c1-12-7-9-13(10-8-12)11-23-17(22)15-16(18)20-21(19-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50274075 (CHEMBL1561896) Show SMILES COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B receptor expressed in cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86569 (Azanium analog, 61) Show SMILES CC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86563 (Azanium analog, 55) Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86562 (Azanium analog, 54) Show SMILES COCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86563 (Azanium analog, 55) Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86562 (Azanium analog, 54) Show SMILES COCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86561 (Azanium analog, 53) Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H13Cl2NO2/c14-10-5-9(6-11(15)7-10)13-2-1-12(18-13)8-16-3-4-17/h1-2,5-7,16-17H,3-4,8H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318241 ((4,6-dimethylpyrimidin-2-ylamino)(2-(5-fluoro-1H-i...) Show SMILES Cc1cc(C)nc(NC(N)=NCCc2c[nH]c3ccc(F)cc23)n1 |w:10.10| Show InChI InChI=1S/C17H19FN6/c1-10-7-11(2)23-17(22-10)24-16(19)20-6-5-12-9-21-15-4-3-13(18)8-14(12)15/h3-4,7-9,21H,5-6H2,1-2H3,(H3,19,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318244 ((R)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)-2-(m-tolylo...) Show SMILES C[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C18H18N4O2/c1-12-7-6-10-15(11-12)24-13(2)17(23)20-18-19-16(21-22-18)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H2,19,20,21,22,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86552 (Piperidin-1-ium analog, 4) Show SMILES O[C@@H](C[NH+]1CCN(CC1)c1nsc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C17H19N3OS2/c21-14(16-6-3-11-22-16)12-19-7-9-20(10-8-19)17-13-4-1-2-5-15(13)23-18-17/h1-6,11,14,21H,7-10,12H2/p+1/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392830 (CHEMBL2151130) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C15H11ClN4O/c16-12-8-6-11(7-9-12)14(21)18-15-17-13(19-20-15)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392814 (CHEMBL2151126) Show SMILES CCCC(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C12H14N4O/c1-2-6-10(17)13-12-14-11(15-16-12)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,13,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50392831 (CHEMBL2151132) Show SMILES COc1ccccc1NC(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H15N5O2/c1-23-13-10-6-5-9-12(13)17-16(22)19-15-18-14(20-21-15)11-7-3-2-4-8-11/h2-10H,1H3,(H3,17,18,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50392818 (CHEMBL2151131) Show SMILES COc1ccccc1C(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H14N4O2/c1-22-13-10-6-5-9-12(13)15(21)18-16-17-14(19-20-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50274075 (CHEMBL1561896) Show SMILES COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1 Show InChI InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A1 receptor expressed in cell membranes after 60 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50274069 (CHEMBL4128848) Show SMILES Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12 Show InChI InChI=1S/C14H10ClN3O/c15-10-7-4-8-11-12(10)17-14(16-11)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A2B receptor expressed in cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50274072 (CHEMBL4126042) Show SMILES Cc1cccc(c1)-n1nc(N)c(n1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C18H18N4O/c1-13-6-5-9-15(12-13)22-20-17(18(19)21-22)16(23)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H2,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method				J Med Chem 61: 5269-5278 (2018) Article DOI: 10.1021/acs.jmedchem.8b00204 BindingDB Entry DOI: 10.7270/Q2SJ1P38
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86556 (Azanium analog, 28) Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392831 (CHEMBL2151132) Show SMILES COc1ccccc1NC(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H15N5O2/c1-23-13-10-6-5-9-12(13)17-16(22)19-15-18-14(20-21-15)11-7-3-2-4-8-11/h2-10H,1H3,(H3,17,18,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392834 (CHEMBL2151124) Show SMILES CC(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C10H10N4O/c1-7(15)11-10-12-9(13-14-10)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392829 (CHEMBL2151125) Show SMILES CCC(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C11H12N4O/c1-2-9(16)12-11-13-10(14-15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50392816 (CHEMBL2151128) Show SMILES O=C(Nc1nnc([nH]1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C15H12N4O/c20-14(12-9-5-2-6-10-12)17-15-16-13(18-19-15)11-7-3-1-4-8-11/h1-10H,(H2,16,17,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50392817 (CHEMBL2151129) Show SMILES Cc1ccc(cc1)C(=O)Nc1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-11-7-9-13(10-8-11)15(21)18-16-17-14(19-20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H2,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting				ACS Med Chem Lett 3: 715-720 (2012) Article DOI: 10.1021/ml300097g BindingDB Entry DOI: 10.7270/Q27082HC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86558 (Piperidin-1-ium analog, 30) Show SMILES CCCNC(=O)C1CCC[NH+](CCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C17H25ClN2O2/c1-2-9-19-17(21)14-4-3-10-20(13-14)11-12-22-16-7-5-15(18)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86567 (Azanium analog, 59) Show SMILES CCC(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C15H17Cl2NO2/c1-2-11(9-19)18-8-12-4-6-15(20-12)13-7-10(16)3-5-14(13)17/h3-7,11,18-19H,2,8-9H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86564 (Azanium analog, 56) Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86565 (Azanium analog, 57) Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-9-3-5-12(16-9)10-6-8(13)2-4-11(10)14/h2-6,15H,7H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair

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