BDBM50006697 8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL33115

SMILES: CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=CIDAIWBSWSWBOW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50006697   

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))	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	58	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 Inhibition of N6-[3H]-cyclohexyladenosine binding to adenosine A1 receptor from rat cortical membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nova Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).				J Med Chem 34: 1431-5 (1991) BindingDB Entry DOI: 10.7270/Q2G73CP1
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	560	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 from guinea pig forebrain membranes, using N6-[3H]-cyclohexyladenosine as radioligand.				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	593	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 Inhibition of N-[3H]-ethyladenosin-5''-uronamide binding to adenosine A2 receptor from rat striatal membranes				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	593	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nova Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against adenosine A2 receptor in rat striatum by the displacement of [3H]N-ethyladenosine-5''-uronamide(NECA).				J Med Chem 34: 1431-5 (1991) BindingDB Entry DOI: 10.7270/Q2G73CP1
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50006697 (8-Phenethyl-1,3-dipropyl-3,7-dihydro-purine-2,6-di...) Show SMILES CCCn1c2nc(CCc3ccccc3)[nH]c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C19H24N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.20E+3	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 A2 receptor from rat striatal membranes, using N-[3H]-ethyladenosin-5''-uronamide as radioligand (in the presence ...				J Med Chem 35: 2342-5 (1992) BindingDB Entry DOI: 10.7270/Q2T43S20
					More data for this Ligand-Target Pair