BDBM50011216 1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::8-(1-Methyl-2-phenyl-ethyl)-1,3-dipropyl-3,9-dihydro-purine-2,6-dione::CHEMBL337073

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1

InChI Key: InChIKey=MFDOIDPESZOBLK-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50011216   

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 (Rattus norvegicus (rat))	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Marion Merrell Dow Research Institute Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor was determined using radioligand [3H]-CHA in whole rat brain membranes at 25 degree C				J Med Chem 36: 4015-20 (1994) BindingDB Entry DOI: 10.7270/Q23T9G92
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	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 A1 receptor (GUINEA PIG)	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	260	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 carried out with [3H]-cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor				J Med Chem 34: 466-9 (1991) BindingDB Entry DOI: 10.7270/Q2154G0Z
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	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 carried out with [3H]5'-(N-ethylcarbamoyl)-adenosine in the presence of 50 nM cyclopentyladenosine in rat striatal membranes against...				J Med Chem 34: 466-9 (1991) BindingDB Entry DOI: 10.7270/Q2154G0Z
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50011216 (1-Methyl-8-(1-methyl-2-phenyl-ethyl)-1,3-dipropyl-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C(C)Cc1ccccc1 Show InChI InChI=1S/C20H26N4O2/c1-4-11-23-18-16(19(25)24(12-5-2)20(23)26)21-17(22-18)14(3)13-15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	644	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 Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand				J Med Chem 33: 3127-30 (1991) BindingDB Entry DOI: 10.7270/Q2ZC83GN
					More data for this Ligand-Target Pair