Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM191801'   

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))	BDBM191801 (US9187428, 29) Show SMILES CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3cccc(OCCO)c3)c2C#N)ccn1 Show InChI InChI=1S/C23H20N6O3S/c1-27-22(31)19-9-14(5-6-28-19)13-33-23-18(12-25)20(17(11-24)21(26)29-23)15-3-2-4-16(10-15)32-8-7-30/h2-6,9-10,30H,7-8,13H2,1H3,(H2,26,29)(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	0.5	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The following test protocol is used for pharmacologically characterizing cells and for the robot-assisted substance screening:The stock cultures ar...				US Patent US9187428 (2015) BindingDB Entry DOI: 10.7270/Q29Z93Q4
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