Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM298433'   

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))	BDBM298433 (US11806350, Compound 204) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)ccc1C(=O)NCCC1CCN(C)CC1 Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-34(39(57-6)35(25-28)50-59(7,54)55)48-42(53)47-33-14-15-36(31-11-9-8-10-30(31)33)58-38-17-21-45-41(49-38)46-29-12-13-32(37(26-29)56-5)40(52)44-20-16-27-18-22-51(4)23-19-27/h8-15,17,21,24-27,50H,16,18-20,22-23H2,1-7H3,(H,44,52)(H,45,46,49)(H2,47,48,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	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
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