Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50423872'   

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))	BDBM50423872 (CHEMBL2024150) Show SMILES COc1ccc(cc1)-n1nc2c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(cc3)C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)nc3ccccc3n2c1=O |c:52,54,t:49| Show InChI InChI=1S/C53H55BF2N10O9S/c1-72-40-20-14-37(15-21-40)66-53(71)63-44-9-5-4-8-42(44)60-51(52(63)62-66)61-49(69)25-24-48(68)59-28-30-74-32-31-73-29-27-58-47(67)11-3-2-6-26-57-50(70)35-75-41-18-12-36(13-19-41)43-22-16-38-34-39-17-23-45(46-10-7-33-76-46)65(39)54(55,56)64(38)43/h4-5,7-10,12-23,33-34H,2-3,6,11,24-32,35H2,1H3,(H,57,70)(H,58,67)(H,59,68)(H,60,61,69)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.40	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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