BDBM50110977 1-Butyl-8-(4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-3,7-dihydro-purine-2,6-dione::CHEMBL37726

SMILES: CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1

InChI Key: InChIKey=YZDSUMFAGBKOQD-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 = 50110977   

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 A2b (Homo sapiens (Human))	BDBM50110977 (1-Butyl-8-(4-{2-[4-(2-methoxy-phenyl)-piperazin-1-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1 Show InChI InChI=1S/C28H32N6O5/c1-3-4-13-34-27(36)24-26(31-28(34)37)30-25(29-24)19-9-11-20(12-10-19)39-18-23(35)33-16-14-32(15-17-33)21-7-5-6-8-22(21)38-2/h5-12H,3-4,13-18H2,1-2H3,(H,29,30)(H,31,37)	NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-ZM-241,385 binding to human adenosine A2B receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50110977 (1-Butyl-8-(4-{2-[4-(2-methoxy-phenyl)-piperazin-1-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1 Show InChI InChI=1S/C28H32N6O5/c1-3-4-13-34-27(36)24-26(31-28(34)37)30-25(29-24)19-9-11-20(12-10-19)39-18-23(35)33-16-14-32(15-17-33)21-7-5-6-8-22(21)38-2/h5-12H,3-4,13-18H2,1-2H3,(H,29,30)(H,31,37)	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-CCPA binding to rat adenosine A1 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50110977 (1-Butyl-8-(4-{2-[4-(2-methoxy-phenyl)-piperazin-1-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1 Show InChI InChI=1S/C28H32N6O5/c1-3-4-13-34-27(36)24-26(31-28(34)37)30-25(29-24)19-9-11-20(12-10-19)39-18-23(35)33-16-14-32(15-17-33)21-7-5-6-8-22(21)38-2/h5-12H,3-4,13-18H2,1-2H3,(H,29,30)(H,31,37)	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-PSB-11 binding to human Adenosine A3 receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50110977 (1-Butyl-8-(4-{2-[4-(2-methoxy-phenyl)-piperazin-1-...) Show SMILES CCCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2ccccc2OC)cc1 Show InChI InChI=1S/C28H32N6O5/c1-3-4-13-34-27(36)24-26(31-28(34)37)30-25(29-24)19-9-11-20(12-10-19)39-18-23(35)33-16-14-32(15-17-33)21-7-5-6-8-22(21)38-2/h5-12H,3-4,13-18H2,1-2H3,(H,29,30)(H,31,37)	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]-MSX-2 binding to rat adenosine A2A receptor				J Med Chem 45: 1500-10 (2002) BindingDB Entry DOI: 10.7270/Q2X929MN
					More data for this Ligand-Target Pair