Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM298418'   

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))	BDBM298418 (3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...) Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)O Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,39,49-51H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair