Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine kinase' and Ligand = 'BDBM50090894'   

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))	BDBM50090894 (2-Hydroxymethyl-5-(5-iodo-4-phenylamino-pyrrolo[2,...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(Nc3ccccc3)ncnc12 Show InChI InChI=1S/C17H17IN4O4/c18-10-6-22(17-14(25)13(24)11(7-23)26-17)16-12(10)15(19-8-20-16)21-9-4-2-1-3-5-9/h1-6,8,11,13-14,17,23-25H,7H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics Inc Curated by ChEMBL					Assay Description Inhibition of recombinant human adenosine kinase				J Med Chem 43: 2894-905 (2000) BindingDB Entry DOI: 10.7270/Q2SQ8ZMP
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