Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Equilibrative nucleoside transporter 1' and Ligand = 'BDBM23631'   

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))	BDBM23631 (2-{[4,8-bis(azocan-1-yl)-6-[bis(2-hydroxyethyl)ami...) Show SMILES OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(nc(N3CCCCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C28H48N8O4/c37-19-15-35(16-20-38)27-30-24-23(25(31-27)33-11-7-3-1-4-8-12-33)29-28(36(17-21-39)18-22-40)32-26(24)34-13-9-5-2-6-10-14-34/h37-40H,1-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.490	-52.6	8.67	n/a	n/a	n/a	n/a	7.4	22
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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