Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367598'   

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))	BDBM50367598 (CHEMBL604967) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NCC3c4ccccc4Oc4ccccc34)ncnc12 |r| Show InChI InChI=1S/C24H23N5O5/c30-10-18-20(31)21(32)24(34-18)29-12-28-19-22(26-11-27-23(19)29)25-9-15-13-5-1-3-7-16(13)33-17-8-4-2-6-14(15)17/h1-8,11-12,15,18,20-21,24,30-32H,9-10H2,(H,25,26,27)/t18-,20-,21-,24?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	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 on rat whole brain membrane using [3H]N6-cyclohexyladenosine				J Med Chem 31: 271-3 (1988) BindingDB Entry DOI: 10.7270/Q23R0TFW
					More data for this Ligand-Target Pair