Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Equilibrative nucleoside transporter 1' and Ligand = 'BDBM23677'   

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
Equilibrative nucleoside transporter 1 (Homo sapiens (Human))	BDBM23677 (2-({4,8-bis[(2,2-dimethylpropyl)amino]-6-[(2-hydro...) Show SMILES CC(C)(C)CNc1nc(NCCO)nc2c(NCC(C)(C)C)nc(NCCO)nc12 Show InChI InChI=1S/C20H36N8O2/c1-19(2,3)11-23-15-13-14(26-17(27-15)21-7-9-29)16(24-12-20(4,5)6)28-18(25-13)22-8-10-30/h29-30H,7-12H2,1-6H3,(H2,21,23,26,27)(H2,22,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...				J Med Chem 50: 3906-20 (2007) Article DOI: 10.1021/jm070311l BindingDB Entry DOI: 10.7270/Q2XK8CVN
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