BDBM23678 2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclopropylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol::Dipyridamole Analogue, 60

SMILES: OCCN(CCO)c1nc(NC2CC2)c2nc(nc(NC3CC3)c2n1)N(CCO)CCO

InChI Key: InChIKey=DLLWSTUUSIBHQS-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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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 = 23678   

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))	BDBM23678 (2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cycloprop...) Show SMILES OCCN(CCO)c1nc(NC2CC2)c2nc(nc(NC3CC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C20H32N8O4/c29-9-5-27(6-10-30)19-24-16-15(17(25-19)21-13-1-2-13)23-20(28(7-11-31)8-12-32)26-18(16)22-14-3-4-14/h13-14,29-32H,1-12H2,(H,21,24,25)(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	428	n/a	7.55E+3	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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