Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50166237'   

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 kinase (Homo sapiens (Human))	BDBM50166237 ((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-viny...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C=C)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C20H21N5O4/c1-2-14-23-15-18(24-8-7-11-5-3-4-6-12(11)24)21-10-22-19(15)25(14)20-17(28)16(27)13(9-26)29-20/h2-6,10,13,16-17,20,26-28H,1,7-9H2/t13-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Human Recombinant Adenosine Kinase				J Med Chem 48: 3389-99 (2005) Article DOI: 10.1021/jm048968j BindingDB Entry DOI: 10.7270/Q2RR1XRF
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