BDBM50372560 CHEMBL428072

SMILES: COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1

InChI Key: InChIKey=SFYBQIGNEKPAAC-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 = 50372560   

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 A2a (Homo sapiens (Human))	BDBM50372560 (CHEMBL428072) Show SMILES COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc1 Show InChI InChI=1S/C23H23N5O3/c1-14-11-15(2)28(27-14)21-13-20(25-23(26-21)19-10-5-16(3)31-19)24-22(29)12-17-6-8-18(30-4)9-7-17/h5-11,13H,12H2,1-4H3,(H,24,25,26,29)	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	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 1269-73 (2008) Article DOI: 10.1016/j.bmcl.2008.01.036 BindingDB Entry DOI: 10.7270/Q2K35VGF
					More data for this Ligand-Target Pair