Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Equilibrative nucleoside transporter 1' and Ligand = 'BDBM23668'   

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))	BDBM23668 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[(2-methyl...) Show SMILES CC(C)CNc1nc(nc2c(NCC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO Show InChI InChI=1S/C22H40N8O4/c1-15(2)13-23-19-17-18(26-21(27-19)29(5-9-31)6-10-32)20(24-14-16(3)4)28-22(25-17)30(7-11-33)8-12-34/h15-16,31-34H,5-14H2,1-4H3,(H,23,26,27)(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	n/a	673	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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