BDBM50007855 8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione (HCl.1/2EtOH)::CHEMBL56409

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1

InChI Key: InChIKey=GHPLWQRIVGHSEY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50007855   

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 (Homo sapiens (Human))	BDBM50007855 (8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)| Show InChI InChI=1S/C18H29N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h12-13H,3-11,19H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonist activity against adenosine A1 receptor in human platelets				J Med Chem 33: 1906-10 (1990) BindingDB Entry DOI: 10.7270/Q22F7MD6
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50007855 (8-(4-Aminomethyl-cyclohexyl)-1,3-dipropyl-3,7-dihy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCC(CN)CC1 |(4.82,-14.36,;4.82,-12.81,;6.15,-12.03,;6.15,-10.48,;7.5,-9.72,;8.98,-10.2,;9.88,-8.93,;8.98,-7.67,;7.5,-8.15,;6.15,-7.37,;6.15,-5.82,;4.82,-8.15,;3.46,-7.37,;3.46,-5.82,;2.11,-5.03,;4.82,-9.72,;3.44,-10.52,;11.28,-8.93,;11.98,-10.15,;13.38,-10.15,;14.08,-8.93,;15.48,-8.93,;16.18,-10.15,;13.38,-7.72,;11.98,-7.72,)| Show InChI InChI=1S/C18H29N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h12-13H,3-11,19H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Antagonistic activity against adenosine A2 receptor in rat adipocytes				J Med Chem 33: 1906-10 (1990) BindingDB Entry DOI: 10.7270/Q22F7MD6
					More data for this Ligand-Target Pair