BDBM23630 2-{[4,8-bis(azepan-1-yl)-6-[(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl]amino}ethan-1-ol::Dipyridamole Analogue, 12

SMILES: OCCNc1nc(N2CCCCCC2)c2nc(NCCO)nc(N3CCCCCC3)c2n1

InChI Key: InChIKey=NNUGTDOGUNBRTD-UHFFFAOYSA-N

Data: 1 Other

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23630   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Equilibrative Nucleoside Transporter 1 (ENT1) (Homo sapiens (Human))	BDBM23630 (2-{[4,8-bis(azepan-1-yl)-6-[(2-hydroxyethyl)amino]...) Show SMILES OCCNc1nc(N2CCCCCC2)c2nc(NCCO)nc(N3CCCCCC3)c2n1 Show InChI InChI=1S/C22H36N8O2/c31-15-9-23-21-26-18-17(19(27-21)29-11-5-1-2-6-12-29)25-22(24-10-16-32)28-20(18)30-13-7-3-4-8-14-30/h31-32H,1-16H2,(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	n/a	n/a	n/a	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
					More data for this Ligand-Target Pair