Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367867'   

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 (Rattus norvegicus (rat))	BDBM50367867 (CHEMBL605170) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=S)Nc5ccc(cc5)C#N)cc4)cc3)ncnc12 |r| Show InChI InChI=1S/C36H36N10O6S/c37-17-23-5-11-26(12-6-23)45-36(53)39-14-13-38-28(48)15-21-1-7-24(8-2-21)43-29(49)16-22-3-9-25(10-4-22)44-33-30-34(41-19-40-33)46(20-42-30)35-32(51)31(50)27(18-47)52-35/h1-12,19-20,27,31-32,35,47,50-51H,13-16,18H2,(H,38,48)(H,43,49)(H2,39,45,53)(H,40,41,44)/t27-,31-,32-,35?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Affinity for adenosine A1 receptor using [3H]-N6 -(phenylisopropyl)-adenosine (R)-[3H]-PIA in rat brain.				J Med Chem 32: 1043-51 (1989) BindingDB Entry DOI: 10.7270/Q2WQ04CH
					More data for this Ligand-Target Pair