Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM191859'   

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))	BDBM191859 (US9187428, 87) Show SMILES CNC(=O)c1cc(CSc2nc(NCC(O)C(F)(F)F)c(C#N)c(-c3ccccc3)c2C#N)ccn1 Show InChI InChI=1S/C24H19F3N6O2S/c1-30-22(35)18-9-14(7-8-31-18)13-36-23-17(11-29)20(15-5-3-2-4-6-15)16(10-28)21(33-23)32-12-19(34)24(25,26)27/h2-9,19,34H,12-13H2,1H3,(H,30,35)(H,32,33)	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	0.600	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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