Compile Data Set for Download or QSAR

Found 182 hits of kd data for polymerid = 2129   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (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	Article PubMed	n/a	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a
J. Uriach & Cía, S.A. Curated by ChEMBL					Assay Description Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria				J Med Chem 40: 547-58 (1997) Article DOI: 10.1021/jm9604383
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095602 (4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 0.1 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095602 (4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 0.05 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095604 (4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 0.1 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095604 (4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 0.05 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095602 (4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 100 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095606 (4-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahy...) Show SMILES CCCn1c(=O)n(Cc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 200 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 5 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095604 (4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 100 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095602 (4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor(AR) at 5 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095602 (4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095602 (4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C23H28FN5O5S/c1-2-13-29-22(31)18-20(27-19(26-18)15-6-3-4-7-15)28(23(29)32)14-5-12-25-21(30)16-8-10-17(11-9-16)35(24,33)34/h8-11,15H,2-7,12-14H2,1H3,(H,25,30)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of NKA-induced airway contraction of isolated hamster trachea (ht) was used as a measure of NK2-receptor antagonist activity.				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095605 (4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C23H29FN4O4S/c1-2-14-28-22(29)19-21(26-20(25-19)17-8-4-3-5-9-17)27(23(28)30)15-6-7-16-10-12-18(13-11-16)33(24,31)32/h10-13,17H,2-9,14-15H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 200 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095604 (4-[3-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 5 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50120223 (4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]-DPCPX binding to Adenosine A1 recepto from DDT1 MF2 cells				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50120223 (4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C25H31FN4O5S/c1-2-15-30-24(32)21-23(28-22(27-21)18-8-4-3-5-9-18)29(25(30)33)16-7-6-10-20(31)17-11-13-19(14-12-17)36(26,34)35/h11-14,18H,2-10,15-16H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50024563 (CHEMBL3330574) Show SMILES CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1 Show InChI InChI=1S/C24H22ClNOS/c1-24(2,3)15-19-20(14-9-16-7-5-4-6-8-16)28-23(26)21(19)22(27)17-10-12-18(25)13-11-17/h4-8,10-13H,15,26H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87...				J Med Chem 57: 7673-86 (2014) Article DOI: 10.1021/jm5008853 BindingDB Entry DOI: 10.7270/Q2SQ91ZC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50120221 (4-[5-(8-Bicyclo[2.2.1]hept-2-yl-2,6-dioxo-1-propyl...) Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2 |THB:25:30:36:34.33| Show InChI InChI=1S/C26H31FN4O5S/c1-2-12-31-25(33)22-24(29-23(28-22)20-15-16-6-7-18(20)14-16)30(26(31)34)13-4-3-5-21(32)17-8-10-19(11-9-17)37(27,35)36/h8-11,16,18,20H,2-7,12-15H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50120222 (4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C24H29FN4O5S/c1-2-14-29-23(31)20-22(27-21(26-20)17-7-3-4-8-17)28(24(29)32)15-6-5-9-19(30)16-10-12-18(13-11-16)35(25,33)34/h10-13,17H,2-9,14-15H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50120222 (4-[5-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tet...) Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C24H29FN4O5S/c1-2-14-29-23(31)20-22(27-21(26-20)17-7-3-4-8-17)28(24(29)32)15-6-5-9-19(30)16-10-12-18(13-11-16)35(25,33)34/h10-13,17H,2-9,14-15H2,1H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50120221 (4-[5-(8-Bicyclo[2.2.1]hept-2-yl-2,6-dioxo-1-propyl...) Show SMILES CCCn1c(=O)n(CCCCC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CC2CCC1C2 |THB:25:30:36:34.33| Show InChI InChI=1S/C26H31FN4O5S/c1-2-12-31-25(33)22-24(29-23(28-22)20-15-16-6-7-18(20)14-16)30(26(31)34)13-4-3-5-21(32)17-8-10-19(11-9-17)37(27,35)36/h8-11,16,18,20H,2-7,12-15H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Equilibrium dissociation constant for [3H]-DPCPX binding to Adenosine A1 receptor from DDT1 MF2 cell membranes				Bioorg Med Chem Lett 12: 3179-82 (2002) BindingDB Entry DOI: 10.7270/Q24F1Q29
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039675 (3-[(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCn1c2nc(CNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H22FN5O5S/c1-3-8-24-16-15(18(27)25(9-4-2)19(24)28)22-14(23-16)11-21-17(26)12-6-5-7-13(10-12)31(20,29)30/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,26)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039675 (3-[(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-p...) Show SMILES CCCn1c2nc(CNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H22FN5O5S/c1-3-8-24-16-15(18(27)25(9-4-2)19(24)28)22-14(23-16)11-21-17(26)12-6-5-7-13(10-12)31(20,29)30/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,26)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039674 (Bromo-acetic acid 3-(2,6-dioxo-1,3-dipropyl-2,3,6,...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(C1)OC(=O)CBr Show InChI InChI=1S/C18H25BrN4O4/c1-3-7-22-16-14(17(25)23(8-4-2)18(22)26)20-15(21-16)11-5-6-12(9-11)27-13(24)10-19/h11-12H,3-10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 100 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039680 (8-(2,5-Dioxo-2,5-dihydro-pyrrol-1-ylmethyl)-1,3-di...) Show SMILES CCCn1c2nc(CN3C(=O)C=CC3=O)[nH]c2c(=O)n(CCC)c1=O |c:11| Show InChI InChI=1S/C16H19N5O4/c1-3-7-19-14-13(15(24)20(8-4-2)16(19)25)17-10(18-14)9-21-11(22)5-6-12(21)23/h5-6H,3-4,7-9H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding of [3H]-CPX to A1 adenosine receptor of DDT1 MF-2 (DDT) cells				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039688 (4-[2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc(CCNC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24FN5O5S/c1-3-11-25-17-16(19(28)26(12-4-2)20(25)29)23-15(24-17)9-10-22-18(27)13-5-7-14(8-6-13)32(21,30)31/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Allosteric enhancer activity at human adenosine A1 receptor expressed in CHO cell membranes assessed as [3H]NECA affinity constant at 1 uM (Kd = 0.87...				J Med Chem 57: 7673-86 (2014) Article DOI: 10.1021/jm5008853 BindingDB Entry DOI: 10.7270/Q2SQ91ZC
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039689 (3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H20FN5O5S/c1-3-8-23-14-13(16(26)24(9-4-2)18(23)27)20-17(21-14)22-15(25)11-6-5-7-12(10-11)30(19,28)29/h5-7,10H,3-4,8-9H2,1-2H3,(H2,20,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50095603 (4-[5-(8-Cyclohexyl-2,6-dioxo-1-propyl-1,2,6,7-tetr...) Show SMILES CCCn1c(=O)n(CCCCCc2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCCC1 Show InChI InChI=1S/C25H33FN4O4S/c1-2-16-30-24(31)21-23(28-22(27-21)19-10-6-3-7-11-19)29(25(30)32)17-8-4-5-9-18-12-14-20(15-13-18)35(26,33)34/h12-15,19H,2-11,16-17H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Dissociation constant of [3H]-DPCPX binding to adenosine A1 receptor (AR) at 200 nM				J Med Chem 43: 4973-80 (2001) BindingDB Entry DOI: 10.7270/Q2S46R66
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039678 (8-cyclopentyl-1,3-di[3-(4-fluorosulfonylphenylcarb...) Show SMILES FS(=O)(=O)c1ccc(cc1)C(=O)OCCCn1c2nc([nH]c2c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c1=O)C1CCCC1 Show InChI InChI=1S/C30H30F2N4O10S2/c31-47(41,42)22-11-7-20(8-12-22)28(38)45-17-3-15-35-26-24(33-25(34-26)19-5-1-2-6-19)27(37)36(30(35)40)16-4-18-46-29(39)21-9-13-23(14-10-21)48(32,43)44/h7-14,19H,1-6,15-18H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039691 (3-[3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc(CCCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C21H26FN5O5S/c1-3-11-26-18-17(20(29)27(12-4-2)21(26)30)24-16(25-18)9-6-10-23-19(28)14-7-5-8-15(13-14)33(22,31)32/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253889 ((2-amino-4-((4-phenylpiperazin-1-yl)methyl)thiophe...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccccc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h1-9,15H,10-14,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253925 ((2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thioph...) Show SMILES Cc1ccc(cc1)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C23H24ClN3OS/c1-16-2-8-20(9-3-16)27-12-10-26(11-13-27)14-18-15-29-23(25)21(18)22(28)17-4-6-19(24)7-5-17/h2-9,15H,10-14,25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253928 ((2-amino-4-((4-(4-(trifluoromethyl)phenyl)piperazi...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClF3N3OS/c24-18-5-1-15(2-6-18)21(31)20-16(14-32-22(20)28)13-29-9-11-30(12-10-29)19-7-3-17(4-8-19)23(25,26)27/h1-8,14H,9-13,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253891 ((2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClFN3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039682 (4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...) Show SMILES CCCn1c2nc(NC(=O)c3ccc(cc3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H20FN5O5S/c1-3-9-23-14-13(16(26)24(10-4-2)18(23)27)20-17(21-14)22-15(25)11-5-7-12(8-6-11)30(19,28)29/h5-8H,3-4,9-10H2,1-2H3,(H2,20,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039685 (3-[2-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc(CCNC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24FN5O5S/c1-3-10-25-17-16(19(28)26(11-4-2)20(25)29)23-15(24-17)8-9-22-18(27)13-6-5-7-14(12-13)32(21,30)31/h5-7,12H,3-4,8-11H2,1-2H3,(H,22,27)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253892 ((2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(Cl)cc2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21Cl2N3OS/c23-17-3-1-15(2-4-17)21(28)20-16(14-29-22(20)25)13-26-9-11-27(12-10-26)19-7-5-18(24)6-8-19/h1-8,14H,9-13,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253890 ((2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophe...) Show SMILES Nc1scc(CN2CCN(Cc3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN3OS/c24-20-8-6-18(7-9-20)22(28)21-19(16-29-23(21)25)15-27-12-10-26(11-13-27)14-17-4-2-1-3-5-17/h1-9,16H,10-15,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253926 ((2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H22ClN3O3S/c24-17-3-1-15(2-4-17)22(28)21-16(13-31-23(21)25)12-26-7-9-27(10-8-26)18-5-6-19-20(11-18)30-14-29-19/h1-6,11,13H,7-10,12,14,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253927 (4-(4-((5-amino-4-(4-chlorobenzoyl)thiophen-3-yl)me...) Show SMILES Nc1scc(CN2CCN(CC2)c2ccc(cc2)C#N)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H21ClN4OS/c24-19-5-3-17(4-6-19)22(29)21-18(15-30-23(21)26)14-27-9-11-28(12-10-27)20-7-1-16(13-25)2-8-20/h1-8,15H,9-12,14,26H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253308 ((2-amino-4-((4-(pyrimidin-2-yl)piperazin-1-yl)meth...) Show SMILES Nc1scc(CN2CCN(CC2)c2ncccn2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5OS/c21-16-4-2-14(3-5-16)18(27)17-15(13-28-19(17)22)12-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,13H,8-12,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080550 ((2-Amino-4,5-dimethyl-thiophen-3-yl)-(3-trifluorom...) Show SMILES Cc1sc(N)c(C(=O)c2cccc(c2)C(F)(F)F)c1C Show InChI InChI=1S/C14H12F3NOS/c1-7-8(2)20-13(18)11(7)12(19)9-4-3-5-10(6-9)14(15,16)17/h3-6H,18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253888 ((2-amino-4-((4-cyclohexylpiperazin-1-yl)methyl)thi...) Show SMILES Nc1scc(CN2CCN(CC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H28ClN3OS/c23-18-8-6-16(7-9-18)21(27)20-17(15-28-22(20)24)14-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h6-9,15,19H,1-5,10-14,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50039697 (Bromo-acetic acid 2-(8-cyclopentyl-2,6-dioxo-1-pro...) Show SMILES CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1 Show InChI InChI=1S/C18H25BrN4O4/c1-3-8-22-17(25)14-16(21-15(20-14)12-6-4-5-7-12)23(18(22)26)10-11(2)27-13(24)9-19/h11-12H,3-10H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Specific binding of [3H]-CPX to the A1-adenosine receptor				J Med Chem 37: 2704-12 (1994) BindingDB Entry DOI: 10.7270/Q24748X6
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50253852 ((2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophe...) Show SMILES CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C17H20ClN3OS/c1-20-6-8-21(9-7-20)10-13-11-23-17(19)15(13)16(22)12-2-4-14(18)5-3-12/h2-5,11H,6-10,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells				J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:66,68,t:63| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NLuc human A1 adenosine receptor expressed in HEK293-A cells in presence of 1 uM SLV320 by NanoBRET binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 182 total )  |  Next  |  Last  >>

Jump to: