Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50273907'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50273907 (6-(4-methoxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]...) Show SMILES CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N3O3/c1-4-10-21-16-12-15(13-6-8-14(25-3)9-7-13)20-17(16)18(23)22(11-5-2)19(21)24/h6-9,12,20H,4-5,10-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in human HeLa cells				Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B
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