BDBM50258806 CHEMBL468920::[4-(2,3,4,5-Tetrahydro-2,4-dioxo-1-methyl-3-propyl-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl phenylcarbamate

SMILES: CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1

InChI Key: InChIKey=XHHVPDFARZOHCV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50258806   

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))	BDBM50258806 (CHEMBL468920 | [4-(2,3,4,5-Tetrahydro-2,4-dioxo-1-...) Show SMILES CCCn1c(=O)n(C)c2cc([nH]c2c1=O)-c1ccc(COC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O4/c1-3-13-28-22(29)21-20(27(2)24(28)31)14-19(26-21)17-11-9-16(10-12-17)15-32-23(30)25-18-7-5-4-6-8-18/h4-12,14,26H,3,13,15H2,1-2H3,(H,25,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells by beta scintillation counter				Bioorg Med Chem 17: 3618-29 (2009) Article DOI: 10.1016/j.bmc.2009.03.062 BindingDB Entry DOI: 10.7270/Q2Q81D07
					More data for this Ligand-Target Pair