Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2b' and Ligand = 'BDBM50070518'   

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)	BDBM50070518 ((R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...) Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1 Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description In vivo binding affinity was evaluated against Alpha-2 adrenergic receptor				Bioorg Med Chem Lett 8: 1499-502 (1999) BindingDB Entry DOI: 10.7270/Q2WH2P54
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