Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50033447'   

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 A2b (Rattus norvegicus)	BDBM50033447 (2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-toly...) Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its affinity towards Alpha-2 adrenergic receptor				Bioorg Med Chem Lett 5: 663-666 (1995) Article DOI: 10.1016/0960-894X(95)00091-7 BindingDB Entry DOI: 10.7270/Q2ZK5GMX
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