Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Equilibrative nucleoside transporter 1' and Ligand = 'BDBM23655'   

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))	BDBM23655 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dibenzyla...) Show SMILES OCCN(CCO)c1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(nc(N(Cc3ccccc3)Cc3ccccc3)c2n1)N(CCO)CCO Show InChI InChI=1S/C42H48N8O4/c51-25-21-47(22-26-52)41-44-38-37(39(45-41)49(29-33-13-5-1-6-14-33)30-34-15-7-2-8-16-34)43-42(48(23-27-53)24-28-54)46-40(38)50(31-35-17-9-3-10-18-35)32-36-19-11-4-12-20-36/h1-20,51-54H,21-32H2	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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