Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50368214'   

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))	BDBM50368214 (CHEMBL604144) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3(O)CCCc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C21H25N5O5/c27-8-14-16(28)17(29)20(31-14)26-11-25-15-18(23-10-24-19(15)26)22-9-21(30)7-3-5-12-4-1-2-6-13(12)21/h1-2,4,6,10-11,14,16-17,20,27-30H,3,5,7-9H2,(H,22,23,24)/t14-,16-,17-,20?,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor				J Med Chem 34: 1043-9 (1991) BindingDB Entry DOI: 10.7270/Q2HT2PW7
					More data for this Ligand-Target Pair