Compile Data Set for Download or QSAR

Found 535 hits with Last Name = 'borges' and Initial = 'f'   

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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453020 (CHEMBL4209203) Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Mixed-type inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxidase-A...				J Med Chem 61: 4203-4212 (2018) Article DOI: 10.1021/acs.jmedchem.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0QWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453020 (CHEMBL4209203) Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Non-competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O...				J Med Chem 59: 5879-93 (2016) Article DOI: 10.1021/acs.jmedchem.6b00527 BindingDB Entry DOI: 10.7270/Q2X92FSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM23556 (3-Carboxamide-coumarin deriv., 32 | N-(3-chlorophe...) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-11(7-10)8-14(17(21)22-15)16(20)19-13-4-2-3-12(18)9-13/h2-9H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal. Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate as...				J Med Chem 60: 7206-7212 (2017) Article DOI: 10.1021/acs.jmedchem.7b00918 BindingDB Entry DOI: 10.7270/Q23B62KQ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50258188 (CHEMBL4060916) Show SMILES Cc1ccc2occ(C(=O)Nc3cccc(Cl)c3)c(=O)c2c1 Show InChI InChI=1S/C17H12ClNO3/c1-10-5-6-15-13(7-10)16(20)14(9-22-15)17(21)19-12-4-2-3-11(18)8-12/h2-9H,1H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal. Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate as...				J Med Chem 60: 7206-7212 (2017) Article DOI: 10.1021/acs.jmedchem.7b00918 BindingDB Entry DOI: 10.7270/Q23B62KQ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradish peroxid...				J Med Chem 61: 4203-4212 (2018) Article DOI: 10.1021/acs.jmedchem.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0QWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				Eur J Med Chem 54: 914-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.033 BindingDB Entry DOI: 10.7270/Q2S46T0B
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substra...				Eur J Med Chem 174: 116-129 (2019) Article DOI: 10.1016/j.ejmech.2019.04.026 BindingDB Entry DOI: 10.7270/Q2KW5KFM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453019 (CHEMBL4206812) Show SMILES Clc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...				J Med Chem 61: 4203-4212 (2018) Article DOI: 10.1021/acs.jmedchem.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0QWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50504743 (CHEMBL4464272) Show SMILES O=C(N1CCCCC1)C(=C\C=C\c1ccc2OCOc2c1)\C#N Show InChI InChI=1S/C18H18N2O3/c19-12-15(18(21)20-9-2-1-3-10-20)6-4-5-14-7-8-16-17(11-14)23-13-22-16/h4-8,11H,1-3,9-10,13H2/b5-4+,15-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as inhibition constant using kynuramin...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111770 BindingDB Entry DOI: 10.7270/Q21N84DJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453026 (CHEMBL4204513) Show SMILES Brc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10BrNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...				J Med Chem 61: 4203-4212 (2018) Article DOI: 10.1021/acs.jmedchem.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0QWD
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453018 (CHEMBL4203592) Show SMILES Fc1cccc(NC(=O)c2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...				J Med Chem 61: 4203-4212 (2018) Article DOI: 10.1021/acs.jmedchem.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0QWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50504739 (CHEMBL4585553) Show SMILES O=C(OCc1ccccc1)C(=C\C=C\c1ccc2OCOc2c1)\C#N Show InChI InChI=1S/C20H15NO4/c21-12-17(20(22)23-13-16-5-2-1-3-6-16)8-4-7-15-9-10-18-19(11-15)25-14-24-18/h1-11H,13-14H2/b7-4+,17-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as inhibition constant using kynuramin...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111770 BindingDB Entry DOI: 10.7270/Q21N84DJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453020 (CHEMBL4209203) Show SMILES Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C Show InChI InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...				J Med Chem 61: 4203-4212 (2018) Article DOI: 10.1021/acs.jmedchem.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0QWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50467507 (CHEMBL4292235) Show SMILES CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(29)22-15-20(27)19-14-17(6-10-21(19)31-22)7-11-23(28)30-13-12-26(2)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Reversible competitive inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as subs...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50504740 (CHEMBL4514572) Show SMILES O=C(OCc1ccccc1)\C=C\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C19H16O4/c20-19(21-13-16-7-2-1-3-8-16)9-5-4-6-15-10-11-17-18(12-15)23-14-22-17/h1-12H,13-14H2/b6-4+,9-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Competitive inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as inhibition constant using kynuramin...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111770 BindingDB Entry DOI: 10.7270/Q21N84DJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50467507 (CHEMBL4292235) Show SMILES CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(29)22-15-20(27)19-14-17(6-10-21(19)31-22)7-11-23(28)30-13-12-26(2)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Mixed type inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519753 (CHEMBL4526845) Show SMILES Oc1cccc2cc(-c3ccc(Br)cc3)c(=O)oc12 Show InChI InChI=1S/C15H9BrO3/c16-11-6-4-9(5-7-11)12-8-10-2-1-3-13(17)14(10)19-15(12)18/h1-8,17H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50467518 (CHEMBL4286556) Show SMILES CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C23H22N2O5/c1-25(2)12-13-29-21(26)11-9-16-8-10-20-18(14-16)22(27)19(15-30-20)23(28)24-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,28)/b11-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Reversible competitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as subs...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50467507 (CHEMBL4292235) Show SMILES CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(29)22-15-20(27)19-14-17(6-10-21(19)31-22)7-11-23(28)30-13-12-26(2)3/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	478	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Reversible competitive inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as subs...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50350114 (CHEMBL1814066) Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O Show InChI InChI=1S/C16H11NO5/c18-12-6-5-9(7-13(12)19)17-16(21)11-8-22-14-4-2-1-3-10(14)15(11)20/h1-8,18-19H,(H,17,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				Eur J Med Chem 54: 914-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.033 BindingDB Entry DOI: 10.7270/Q2S46T0B
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM82053 (8-(2-Furyl)theophylline | US9138393, Theophylline ...) Show SMILES Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine receptor A2A expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519760 (CHEMBL3950921) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1O Show InChI InChI=1S/C15H10O4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18)19-14(10)13(12)17/h1-8,16-17H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50350111 (CHEMBL1814064) Show SMILES Oc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H11NO4/c18-11-7-5-10(6-8-11)17-16(20)13-9-21-14-4-2-1-3-12(14)15(13)19/h1-9,18H,(H,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				Eur J Med Chem 54: 914-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.033 BindingDB Entry DOI: 10.7270/Q2S46T0B
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50453017 (CHEMBL4215788) Show SMILES Clc1cccc(NCc2coc3ccccc3c2=O)c1 Show InChI InChI=1S/C16H12ClNO2/c17-12-4-3-5-13(8-12)18-9-11-10-20-15-7-2-1-6-14(15)16(11)19/h1-8,10,18H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Tight-binding competitive inhibition of recombinant human MAO-B expressed in Pichia pastoris using benzylamine as substrate by fluorimetric horseradi...				J Med Chem 61: 4203-4212 (2018) Article DOI: 10.1021/acs.jmedchem.8b00357 BindingDB Entry DOI: 10.7270/Q2KH0QWD
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM95955 (MLS000693557 | N-(2-ketochromen-3-yl)benzamide | N...) Show SMILES O=C(Nc1cc2ccccc2oc1=O)c1ccccc1 Show InChI InChI=1S/C16H11NO3/c18-15(11-6-2-1-3-7-11)17-13-10-12-8-4-5-9-14(12)20-16(13)19/h1-10H,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto					Assay Description The radioligands used were 1 nM (2R,3R,4S,5R)-2-(2-chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-3,4-diol ([3H]CCPA) for hA1, 10 n...				Bioorg Chem 61: 1-6 (2015) Article DOI: 10.1016/j.bioorg.2015.05.008 BindingDB Entry DOI: 10.7270/Q21J98HW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519760 (CHEMBL3950921) Show SMILES Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1O Show InChI InChI=1S/C15H10O4/c16-12-7-6-10-8-11(9-4-2-1-3-5-9)15(18)19-14(10)13(12)17/h1-8,16-17H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519762 (CHEMBL4565447) Show SMILES CCOc1cccc2cc(-c3ccc(C)cc3)c(=O)oc12 Show InChI InChI=1S/C18H16O3/c1-3-20-16-6-4-5-14-11-15(18(19)21-17(14)16)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50344059 (8-Hydroxy-3-phenylcoumarin | CHEMBL1777846) Show SMILES Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C15H10O3/c16-13-8-4-7-11-9-12(15(17)18-14(11)13)10-5-2-1-3-6-10/h1-9,16H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519754 (CHEMBL1417172) Show SMILES COc1ccc(cc1)-c1cc2cccc(OC)c2oc1=O Show InChI InChI=1S/C17H14O4/c1-19-13-8-6-11(7-9-13)14-10-12-4-3-5-15(20-2)16(12)21-17(14)18/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50344059 (8-Hydroxy-3-phenylcoumarin | CHEMBL1777846) Show SMILES Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C15H10O3/c16-13-8-4-7-11-9-12(15(17)18-14(11)13)10-5-2-1-3-6-10/h1-9,16H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519767 (CHEMBL4551749) Show SMILES CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1OC(C)=O Show InChI InChI=1S/C19H14O6/c1-11(20)23-16-9-8-14-10-15(13-6-4-3-5-7-13)19(22)25-17(14)18(16)24-12(2)21/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM152531 (N-(Coumarin-3-yl)furan-2-carboxamide (8)) Show SMILES O=C(Nc1cc2ccccc2oc1=O)c1ccco1 Show InChI InChI=1S/C14H9NO4/c16-13(12-6-3-7-18-12)15-10-8-9-4-1-2-5-11(9)19-14(10)17/h1-8H,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto					Assay Description The radioligands used were 1 nM (2R,3R,4S,5R)-2-(2-chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-3,4-diol ([3H]CCPA) for hA1, 10 n...				Bioorg Chem 61: 1-6 (2015) Article DOI: 10.1016/j.bioorg.2015.05.008 BindingDB Entry DOI: 10.7270/Q21J98HW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50524422 (CHEMBL4557635) Show SMILES COc1ccc(cc1OC)C(=O)NCCCCC\C=[N+](/[O-])C(C)(C)C Show InChI InChI=1S/C19H30N2O4/c1-19(2,3)21(23)13-9-7-6-8-12-20-18(22)15-10-11-16(24-4)17(14-15)25-5/h10-11,13-14H,6-9,12H2,1-5H3,(H,20,22)/b21-13-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substra...				Eur J Med Chem 174: 116-129 (2019) Article DOI: 10.1016/j.ejmech.2019.04.026 BindingDB Entry DOI: 10.7270/Q2KW5KFM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50344057 (8-Ethoxy-3-(4'-methoxyphenyl)coumarin | CHEMBL1777...) Show SMILES CCOc1cccc2cc(-c3ccc(OC)cc3)c(=O)oc12 Show InChI InChI=1S/C18H16O4/c1-3-21-16-6-4-5-13-11-15(18(19)22-17(13)16)12-7-9-14(20-2)10-8-12/h4-11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50350112 (CHEMBL1814065) Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1O Show InChI InChI=1S/C17H13NO5/c1-22-15-7-6-10(8-13(15)19)18-17(21)12-9-23-14-5-3-2-4-11(14)16(12)20/h2-9,19H,1H3,(H,18,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				Eur J Med Chem 54: 914-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.033 BindingDB Entry DOI: 10.7270/Q2S46T0B
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519768 (CHEMBL4543278) Show SMILES CC(=O)Oc1ccc(cc1)-c1cc2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O Show InChI InChI=1S/C21H16O8/c1-11(22)26-16-7-4-14(5-8-16)17-10-15-6-9-18(27-12(2)23)20(28-13(3)24)19(15)29-21(17)25/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519769 (CHEMBL3914193) Show SMILES Oc1ccc(cc1O)-c1cc2cccc(O)c2oc1=O Show InChI InChI=1S/C15H10O5/c16-11-5-4-8(7-13(11)18)10-6-9-2-1-3-12(17)14(9)20-15(10)19/h1-7,16-18H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519770 (CHEMBL3939546) Show SMILES Oc1ccc(cc1O)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O6/c16-10-3-1-7(6-12(10)18)9-5-8-2-4-11(17)13(19)14(8)21-15(9)20/h1-6,16-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50350118 (CHEMBL1814067) Show SMILES COc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1OC Show InChI InChI=1S/C18H15NO5/c1-22-15-8-7-11(9-16(15)23-2)19-18(21)13-10-24-14-6-4-3-5-12(14)17(13)20/h3-10H,1-2H3,(H,19,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Universidade do Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				Eur J Med Chem 54: 914-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.033 BindingDB Entry DOI: 10.7270/Q2S46T0B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM82053 (8-(2-Furyl)theophylline | US9138393, Theophylline ...) Show SMILES Cn1c2[nH]cnc2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519766 (CHEMBL4452834) Show SMILES CC(=O)Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H12O4/c1-11(18)20-15-9-5-8-13-10-14(17(19)21-16(13)15)12-6-3-2-4-7-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519766 (CHEMBL4452834) Show SMILES CC(=O)Oc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C17H12O4/c1-11(18)20-15-9-5-8-13-10-14(17(19)21-16(13)15)12-6-3-2-4-7-12/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519748 (CHEMBL4471897) Show SMILES CC(=O)COc1cccc2cc(-c3ccccc3)c(=O)oc12 Show InChI InChI=1S/C18H14O4/c1-12(19)11-21-16-9-5-8-14-10-15(18(20)22-17(14)16)13-6-3-2-4-7-13/h2-10H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519772 (CHEMBL4532465) Show SMILES COc1cccc2cc(-c3ccc(cc3)[N+]([O-])=O)c(=O)oc12 Show InChI InChI=1S/C16H11NO5/c1-21-14-4-2-3-11-9-13(16(18)22-15(11)14)10-5-7-12(8-6-10)17(19)20/h2-9H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519770 (CHEMBL3939546) Show SMILES Oc1ccc(cc1O)-c1cc2ccc(O)c(O)c2oc1=O Show InChI InChI=1S/C15H10O6/c16-10-3-1-7(6-12(10)18)9-5-8-2-4-11(17)13(19)14(8)21-15(9)20/h1-6,16-19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50333651 (4-oxo-N-phenyl-4H-chromene-3-carboxamide | CHEMBL1...) Show SMILES O=C(Nc1ccccc1)c1coc2ccccc2c1=O Show InChI InChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h1-10H,(H,17,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting				Eur J Med Chem 54: 914-8 (2012) Article DOI: 10.1016/j.ejmech.2012.05.033 BindingDB Entry DOI: 10.7270/Q2S46T0B
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50519767 (CHEMBL4551749) Show SMILES CC(=O)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1OC(C)=O Show InChI InChI=1S/C19H14O6/c1-11(20)23-16-9-8-14-10-15(13-6-4-3-5-7-13)19(22)25-17(14)18(16)24-12(2)21/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM152526 (N-(Coumarin-3-yl)acrylamide (2)) Show SMILES C=CC(=O)Nc1cc2ccccc2oc1=O Show InChI InChI=1S/C12H9NO3/c1-2-11(14)13-9-7-8-5-3-4-6-10(8)16-12(9)15/h2-7H,1H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade do Porto					Assay Description The radioligands used were 1 nM (2R,3R,4S,5R)-2-(2-chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-3,4-diol ([3H]CCPA) for hA1, 10 n...				Bioorg Chem 61: 1-6 (2015) Article DOI: 10.1016/j.bioorg.2015.05.008 BindingDB Entry DOI: 10.7270/Q21J98HW
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50519764 (CHEMBL4537667) Show SMILES CCOc1cccc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 Show InChI InChI=1S/C20H20O6/c1-5-25-15-8-6-7-12-9-14(20(21)26-18(12)15)13-10-16(22-2)19(24-4)17(11-13)23-3/h6-11H,5H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human adenosine receptor A3 expressed in CHO cell membranes by radioligand competition assay				J Med Chem 63: 2577-2587 (2020) Article DOI: 10.1021/acs.jmedchem.9b01572 BindingDB Entry DOI: 10.7270/Q23B63JP
					More data for this Ligand-Target Pair

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