Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50152091'   

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 (Homo sapiens (Human))	BDBM50152091 (2-Hydroxymethyl-5-[6-(3-iodo-benzylamino)-2-(4-iso...) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(nc12)-n1cc(cn1)-c1nccc2ccccc12 Show InChI InChI=1S/C29H25IN8O4/c30-19-6-3-4-16(10-19)11-32-26-23-27(37(15-33-23)28-25(41)24(40)21(14-39)42-28)36-29(35-26)38-13-18(12-34-38)22-20-7-2-1-5-17(20)8-9-31-22/h1-10,12-13,15,21,24-25,28,39-41H,11,14H2,(H,32,35,36)/t21-,24-,25-,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells				J Med Chem 47: 4766-73 (2004) Article DOI: 10.1021/jm049682h BindingDB Entry DOI: 10.7270/Q2959JBN
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