Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50141455'   

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))	BDBM50141455 (CHEMBL285251 | N-[6-Amino-9-((2R,3R,4S,5R)-3,4-dih...) Show SMILES Nc1nc(NC(=O)\C=C\c2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C19H20N6O5/c20-16-13-17(25(9-21-13)18-15(29)14(28)11(8-26)30-18)24-19(23-16)22-12(27)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,26,28-29H,8H2,(H3,20,22,23,24,27)/b7-6+/t11-,14-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inotek Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem Lett 14: 1495-8 (2004) Article DOI: 10.1016/j.bmcl.2004.01.011 BindingDB Entry DOI: 10.7270/Q27H1J1D
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