BDBM82012 8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione::8-(4-hydroxyphenyl)theophylline::CHEMBL27047

SMILES: Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1

InChI Key: InChIKey=YGBHMJNRSBKDLF-UHFFFAOYSA-N

Data: 8 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 82012   

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 A1 receptor (BOVINE)	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985) Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985) Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes				J Med Chem 28: 487-92 (1985) BindingDB Entry DOI: 10.7270/Q2RV0P8X
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.				J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	60.7	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 A2a receptor (GUINEA PIG)	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor)				J Med Chem 28: 487-92 (1985) BindingDB Entry DOI: 10.7270/Q2RV0P8X
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Homo sapiens (Human))	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against A2 adenosine receptor in guinea pig cerebral cortical slices by [3H]-adenine displacement.				J Med Chem 28: 1334-40 (1985) BindingDB Entry DOI: 10.7270/Q22Z14HN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Ki Database									Naunyn Schmiedebergs Arch Pharmacol 330: 212-21 (1985) Article DOI: 10.1007/bf00572436 BindingDB Entry DOI: 10.7270/Q2RB7334
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM82012 (8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...) Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	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
					More data for this Ligand-Target Pair