Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50423873'   

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))	BDBM50423873 (CHEMBL2024151) Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc3nc4ccccc4n4c3nn(-c3ccc(OC)cc3)c4=O)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O |c:9| Show InChI InChI=1S/C59H69N9O13S2/c1-7-65-47-28-26-42(82(73,74)75)38-45(47)59(4,5)50(65)18-10-8-11-19-51-58(2,3)44-27-25-43(83(76,77)78)39-49(44)66(51)33-15-9-12-20-52(69)60-31-34-80-36-37-81-35-32-61-53(70)29-30-54(71)63-55-56-64-68(40-21-23-41(79-6)24-22-40)57(72)67(56)48-17-14-13-16-46(48)62-55/h8,10-11,13-14,16-19,21-28,38-39H,7,9,12,15,20,29-37H2,1-6H3,(H4-,60,61,62,63,69,70,71,73,74,75,76,77,78)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in forskolin-stimulated CHO cells assessed as inhibition of NECA-induced CRE-SPAP gene t...				J Med Chem 55: 1771-82 (2012) Article DOI: 10.1021/jm201722y BindingDB Entry DOI: 10.7270/Q2ST7R4K
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