BDBM50242115 CHEMBL4069118

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC#Cc2cccc(F)c2)cc1

InChI Key: InChIKey=XEXWTPIMGFBYBX-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 = 50242115   

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))	BDBM50242115 (CHEMBL4069118) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC#Cc2cccc(F)c2)cc1 Show InChI InChI=1S/C26H25FN4O3/c1-3-14-30-24-22(25(32)31(15-4-2)26(30)33)28-23(29-24)19-10-12-21(13-11-19)34-16-6-8-18-7-5-9-20(27)17-18/h5,7,9-13,17H,3-4,14-16H2,1-2H3,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 134: 218-229 (2017) Article DOI: 10.1016/j.ejmech.2017.04.014 BindingDB Entry DOI: 10.7270/Q2VH5R0J
					More data for this Ligand-Target Pair