BDBM50242073 CHEMBL4069730

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccccc2C(=O)OCC)c1

InChI Key: InChIKey=YINJRYLEFASZJA-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 = 50242073   

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))	BDBM50242073 (CHEMBL4069730) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cnn(CC#Cc2ccccc2C(=O)OCC)c1 Show InChI InChI=1S/C26H28N6O4/c1-4-13-31-23-21(24(33)32(14-5-2)26(31)35)28-22(29-23)19-16-27-30(17-19)15-9-11-18-10-7-8-12-20(18)25(34)36-6-3/h7-8,10,12,16-17H,4-6,13-15H2,1-3H3,(H,28,29)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	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
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