Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50081670'   

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 A1 (Rattus norvegicus (rat))	BDBM50081670 (4-[2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-...) Show SMILES CCOC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 Show InChI InChI=1S/C30H31N2O5S/c1-5-23-24(30(36)38-7-3)22(17-18-32-27(33)20-15-11-12-16-21(20)28(32)34)25(29(35)37-6-2)26(31(23)4)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Displacement of [3H]-R-PIA from Adenosine A1 receptor of rat brain membranes				J Med Chem 42: 4232-8 (1999) BindingDB Entry DOI: 10.7270/Q2V69HSC
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