Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50178014'   

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))	BDBM50178014 (CHEMBL370164 | N-(4-chlorophenyl)-2-(5-phenyl-7-(5...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(-c2ccccc2)c2c(NCC(=O)Nc3ccc(Cl)cc3)ncnc12 Show InChI InChI=1S/C25H24ClN5O4/c1-14-21(33)22(34)25(35-14)31-12-18(15-5-3-2-4-6-15)20-23(28-13-29-24(20)31)27-11-19(32)30-17-9-7-16(26)8-10-17/h2-10,12-14,21-22,25,33-34H,11H2,1H3,(H,30,32)(H,27,28,29)/t14-,21-,22-,25-/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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human adenosine kinase				J Med Chem 48: 7808-20 (2005) Article DOI: 10.1021/jm050394a BindingDB Entry DOI: 10.7270/Q22V2FPZ
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