Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50309785'   

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 A3 (Homo sapiens (Human))	BDBM50309785 ((1S,2R,3S,4R,5S)-6-(3-Chlorobenzylamino)-(2-(6-(1-...) Show SMILES CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#CCCCCc1cn(CCCCN)nn1 |r| Show InChI InChI=1S/C32H39ClN10O3/c1-35-31(46)32-16-23(32)26(27(44)28(32)45)43-19-37-25-29(36-17-20-9-8-10-21(33)15-20)38-24(39-30(25)43)12-5-3-2-4-11-22-18-42(41-40-22)14-7-6-13-34/h8-10,15,18-19,23,26-28,44-45H,2-4,6-7,11,13-14,16-17,34H2,1H3,(H,35,46)(H,36,38,39)/t23-,26-,27+,28+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting				Bioorg Med Chem 18: 508-17 (2010) Article DOI: 10.1016/j.bmc.2009.12.018 BindingDB Entry DOI: 10.7270/Q27M0826
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