Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM110141'   

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 (Rattus norvegicus (rat))	BDBM110141 ((E)-8-(3,4-Dichlorostyryl)-1,3-dimethyl-7-ethylxan...) Show SMILES CCn1c(\C=C\c2ccc(Cl)c(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 Show InChI InChI=1S/C17H16Cl2N4O2/c1-4-23-13(8-6-10-5-7-11(18)12(19)9-10)20-15-14(23)16(24)22(3)17(25)21(15)2/h5-9H,4H2,1-3H3/b8-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
North-West University, Private Bag X6001, Potchefstroom 2520, South Africa									Bioorg Chem 49: 49-58 (2013) Article DOI: 10.1016/j.bioorg.2013.06.006 BindingDB Entry DOI: 10.7270/Q21V5CM2
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