Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM191850'   

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))	BDBM191850 (US9187428, 78) Show SMILES CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccc(OCCO)nc3)c2C#N)ccn1 Show InChI InChI=1S/C24H23N7O4S/c1-27-23(34)19-10-15(4-5-28-19)14-36-24-18(12-26)21(17(11-25)22(31-24)29-6-7-32)16-2-3-20(30-13-16)35-9-8-33/h2-5,10,13,32-33H,6-9,14H2,1H3,(H,27,34)(H,29,31)	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	0.100	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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