BDBM50414368 CHEMBL563889

SMILES: CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=ZUMBEDFBBFUPEK-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 = 50414368   

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))	BDBM50414368 (CHEMBL563889) Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H24N4O3/c1-3-26-22(28)19-21(27(23(26)29)14-7-15-30-2)25-20(24-19)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h4-6,8-13H,3,7,14-15H2,1-2H3,(H,24,25)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de A Coru£a Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2b receptor expressed in HEK293 cells				Bioorg Med Chem 17: 3426-32 (2009) Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50414368 (CHEMBL563889) Show SMILES CCn1c(=O)n(CCCOC)c2nc([nH]c2c1=O)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H24N4O3/c1-3-26-22(28)19-21(27(23(26)29)14-7-15-30-2)25-20(24-19)18-12-10-17(11-13-18)16-8-5-4-6-9-16/h4-6,8-13H,3,7,14-15H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de A Coru£a Curated by ChEMBL					Assay Description Binding affinity to human adenosine A2a receptor expressed in human HeLa cells				Bioorg Med Chem 17: 3426-32 (2009) Article DOI: 10.1016/j.bmc.2009.03.029 BindingDB Entry DOI: 10.7270/Q2XD12XF
					More data for this Ligand-Target Pair