BDBM50235058 CHEMBL4073934

SMILES: COCCOc1cccc(OC(C)(C)C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)c1

InChI Key: InChIKey=HKNGSVQETQMRDL-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 = 50235058   

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))	BDBM50235058 (CHEMBL4073934) Show SMILES COCCOc1cccc(OC(C)(C)C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)c1 Show InChI InChI=1S/C25H31N3O6S/c1-25(2,34-18-7-5-6-17(16-18)33-15-14-30-3)23(29)27-24-26-21-20(31-4)9-8-19(22(21)35-24)28-10-12-32-13-11-28/h5-9,16H,10-15H2,1-4H3,(H,26,27,29)	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	22	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]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membranes measured after 90 mins				J Med Chem 60: 681-694 (2017) Article DOI: 10.1021/acs.jmedchem.6b01584 BindingDB Entry DOI: 10.7270/Q23J3G74
					More data for this Ligand-Target Pair