BDBM50416334 CHEMBL1171380

SMILES: CCCn1c(=O)n(C)c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n(C)c2c1=O

InChI Key: InChIKey=SSSLGISHMUVTNG-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 = 50416334   

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))	BDBM50416334 (CHEMBL1171380) Show SMILES CCCn1c(=O)n(C)c2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n(C)c2c1=O Show InChI InChI=1S/C25H25FN4O4/c1-4-13-30-24(32)23-21(29(3)25(30)33)14-20(28(23)2)16-5-11-19(12-6-16)34-15-22(31)27-18-9-7-17(26)8-10-18/h5-12,14H,4,13,15H2,1-3H3,(H,27,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.9	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 Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 30 mins				Eur J Med Chem 45: 2884-92 (2010) Article DOI: 10.1016/j.ejmech.2010.03.011 BindingDB Entry DOI: 10.7270/Q2T72JPT
					More data for this Ligand-Target Pair