Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50199986'   

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))	BDBM50199986 (2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-9-(5-et...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)-n1cc(CC2CCCC2)nn1 |r| Show InChI InChI=1S/C21H29N9O4/c1-3-23-19(33)16-14(31)15(32)20(34-16)29-10-24-13-17(22-2)25-21(26-18(13)29)30-9-12(27-28-30)8-11-6-4-5-7-11/h9-11,14-16,20,31-32H,3-8H2,1-2H3,(H,23,33)(H,22,25,26)/t14-,15+,16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells				J Med Chem 49: 7373-83 (2006) Article DOI: 10.1021/jm0608208 BindingDB Entry DOI: 10.7270/Q2K64HRJ
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