Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50196542'   

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))	BDBM50196542 (4-((1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyme...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCCO3)nc(nc12)-n1cc(cn1)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H28N8O8/c35-11-16-19(36)20(37)24(42-16)33-12-28-18-21(30-17-2-1-7-41-17)31-26(32-22(18)33)34-10-15(9-29-34)23(38)27-8-13-3-5-14(6-4-13)25(39)40/h3-6,9-10,12,16-17,19-20,24,35-37H,1-2,7-8,11H2,(H,27,38)(H,39,40)(H,30,31,32)/t16-,17-,19-,20-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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]CPX from adenosine A1 receptor in DDT membranes				Bioorg Med Chem Lett 17: 161-6 (2006) Article DOI: 10.1016/j.bmcl.2006.09.065 BindingDB Entry DOI: 10.7270/Q2KK9BDP
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