Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50264167'   

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))	BDBM50264167 ((1S,2R,3S,4R,5S)-ethyl 4-(6-(5-chloro-2-methoxyben...) Show SMILES CCOC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cc(Cl)ccc3OC)nc(Cl)nc12 |r| Show InChI InChI=1S/C22H23Cl2N5O5/c1-3-34-20(32)22-7-12(22)15(16(30)17(22)31)29-9-26-14-18(27-21(24)28-19(14)29)25-8-10-6-11(23)4-5-13(10)33-2/h4-6,9,12,15-17,30-31H,3,7-8H2,1-2H3,(H,25,27,28)/t12-,15-,16+,17+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]CCPA form human adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 8546-56 (2008) Article DOI: 10.1016/j.bmc.2008.08.007 BindingDB Entry DOI: 10.7270/Q20R9P71
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