Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50053940'   

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))	BDBM50053940 (2-(4-Methylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyr...) Show SMILES CCC(Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O Show InChI InChI=1S/C16H17N5OS2/c1-3-12(13(17)22)24-16-19-14-11(15(20-16)23-2)9-18-21(14)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3,(H2,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Displacement of [3H]-N6-PIA from Adenosine A1 receptor from rat whole brain				J Med Chem 39: 4156-61 (1996) Article DOI: 10.1021/jm960052s BindingDB Entry DOI: 10.7270/Q29Z9404
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