BDBM50018164 4-(7-Methyl-2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid methyl ester::CHEMBL21554

SMILES: CCCn1c2nc(-c3ccc(cc3)C(=O)OC)n(C)c2c(=O)n(CCC)c1=O

InChI Key: InChIKey=FBZRBFBNBXZFAK-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 = 50018164   

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))	BDBM50018164 (4-(7-Methyl-2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c2nc(-c3ccc(cc3)C(=O)OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-5-11-23-17-15(18(25)24(12-6-2)20(23)27)22(3)16(21-17)13-7-9-14(10-8-13)19(26)28-4/h7-10H,5-6,11-12H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+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 A2 receptor (Homo sapiens (Human))	BDBM50018164 (4-(7-Methyl-2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahy...) Show SMILES CCCn1c2nc(-c3ccc(cc3)C(=O)OC)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-5-11-23-17-15(18(25)24(12-6-2)20(23)27)22(3)16(21-17)13-7-9-14(10-8-13)19(26)28-4/h7-10H,5-6,11-12H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+4	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