Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM81925'   

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 A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merrell Dow Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita' di Firenze Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM				J Med Chem 43: 1158-64 (2000) BindingDB Entry DOI: 10.7270/Q2QR4WBG
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Oryctolagus cuniculus (Rabbit))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert/Parke-Davis Pharmaceutical Research Curated by PDSP Ki Database									Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes				J Med Chem 32: 1873-9 (1989) BindingDB Entry DOI: 10.7270/Q2708213
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand				J Med Chem 35: 407-22 (1992) BindingDB Entry DOI: 10.7270/Q2Z89D1W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM81925 (8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1 Show InChI InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand				J Med Chem 35: 3066-75 (1992) BindingDB Entry DOI: 10.7270/Q2DN45PF
					More data for this Ligand-Target Pair