BDBM50410644 CHEMBL439868

SMILES: CC(=O)c1ccc(NC(=O)COc2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1

InChI Key: InChIKey=XGWSSATXJAYXNU-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 = 50410644   

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))	BDBM50410644 (CHEMBL439868) Show SMILES CC(=O)c1ccc(NC(=O)COc2ccc(cc2)-c2cc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1 Show InChI InChI=1S/C24H22N4O5/c1-14(29)15-4-8-17(9-5-15)25-21(30)13-33-18-10-6-16(7-11-18)19-12-20-22(26-19)23(31)28(3)24(32)27(20)2/h4-12,26H,13H2,1-3H3,(H,25,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari Curated by ChEMBL					Assay Description Binding affinity to recombinant human adenosine A2B receptor				J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5
					More data for this Ligand-Target Pair