Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50166229'   

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))	BDBM50166229 ((2R,3R,4S,5R)-2-[6-(2,3-Dihydro-indol-1-yl)-8-phen...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Nc2ccccc2)nc2c(ncnc12)N1CCc2ccccc12 Show InChI InChI=1S/C24H24N6O3/c1-14-19(31)20(32)23(33-14)30-22-18(28-24(30)27-16-8-3-2-4-9-16)21(25-13-26-22)29-12-11-15-7-5-6-10-17(15)29/h2-10,13-14,19-20,23,31-32H,11-12H2,1H3,(H,27,28)/t14-,19-,20-,23-/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	200	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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