BDBM50018168 8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL22042

SMILES: CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=AMDFTERSBYGODM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50018168   

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 A2 receptor (Homo sapiens (Human))	BDBM50018168 (8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-pur...) Show SMILES CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	85	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 the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes.				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50018168 (8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-pur...) Show SMILES CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	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 fat cell membrane				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50018168 (8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-pur...) Show SMILES CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70E+3	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 (Rattus norvegicus (rat))	BDBM50018168 (8-Cyclohexyl-7-methyl-1,3-dipropyl-3,7-dihydro-pur...) Show SMILES CCCn1c2nc(C3CCCCC3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C18H28N4O2/c1-4-11-21-16-14(17(23)22(12-5-2)18(21)24)20(3)15(19-16)13-9-7-6-8-10-13/h13H,4-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.20E+3	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 fat cell membrane				J Med Chem 32: 1231-7 (1989) BindingDB Entry DOI: 10.7270/Q2PZ57T1
					More data for this Ligand-Target Pair