BindingDB PrimarySearch

BDBM81971 1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione::CAS_1328::CHEMBL11348::DPX::NSC_1328

SMILES: CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1

InChI Key: InChIKey=LVSWNSHUTPWCNF-UHFFFAOYSA-N

Data: 20 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 81971
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine A1 receptor (BOVINE)	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987) Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN
Universität Heidelberg Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987) Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN
Universität Heidelberg Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985) Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP K_i Database									Mol Pharmacol 56: 705-13 (1999) Article DOI: 10.1016/j.bioorg.2015.09.009 BindingDB Entry DOI: 10.7270/Q2M9077B
University of Virginia Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]-N6-cyclohexyladenosine as the radioligand				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
University of South Florida Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44.5	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 K_i 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))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	45	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
NIDDK Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985) Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes.				J Med Chem 30: 211-4 (1987) BindingDB Entry DOI: 10.7270/Q2TT4PZP
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987) Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN
Universität Heidelberg Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987) Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN
Universität Heidelberg Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987) Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN
Universität Heidelberg Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 336: 204-10 (1987) Article DOI: 10.1007/bf00165806 BindingDB Entry DOI: 10.7270/Q26H4FXN
Universität Heidelberg Curated by PDSP K_i Database					More data for this Ligand-Target Pair
ADORA1 (Chick)	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by PDSP K_i Database									J Pharmacol Exp Ther 244: 1150-6 (1988) BindingDB Entry DOI: 10.7270/Q2KK999X
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	836	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 [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes				J Med Chem 32: 1873-9 (1989) BindingDB Entry DOI: 10.7270/Q2708213
NIDDK Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat brain membrane, using [3H]-NECA as the radioligand.				J Med Chem 32: 2247-54 (1989) BindingDB Entry DOI: 10.7270/Q2H70DTD
University of South Florida Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	863	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 K_i Database									Mol Pharmacol 29: 331-46 (1986) BindingDB Entry DOI: 10.7270/Q2MK6BDV
					More data for this Ligand-Target Pair
ADORA1 (Chick)	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by PDSP K_i Database									J Pharmacol Exp Ther 244: 1150-6 (1988) BindingDB Entry DOI: 10.7270/Q2KK999X
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985) Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor of rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM81971 (1,3-Diethyl-8-phenyl-3,7-dihydro-purine-2,6-dione ...) Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine				J Med Chem 28: 1071-9 (1985) Checked by Author BindingDB Entry DOI: 10.7270/Q2445N2W
TBA Curated by ChEMBL					More data for this Ligand-Target Pair