Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM50235071'   

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))	BDBM50235071 (CHEMBL4094427) Show SMILES COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccc4OCOc4c3)nc12 Show InChI InChI=1S/C22H24N4O6S/c1-22(2,32-13-4-5-14-15(10-13)31-12-30-14)20(27)25-21-24-17-16(28-3)11-23-19(18(17)33-21)26-6-8-29-9-7-26/h4-5,10-11H,6-9,12H2,1-3H3,(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine agonist [3H]N-propylnorapomorphine ...				J Med Chem 60: 681-694 (2017) Article DOI: 10.1021/acs.jmedchem.6b01584 BindingDB Entry DOI: 10.7270/Q23J3G74
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