BDBM23628 Dipyridamole Analogue, 8::benzyl 4-{2,6-bis[bis(2-hydroxyethyl)amino]-8-(piperazin-1-yl)pyrimido[5,4-d][1,3]diazin-4-yl}piperazine-1-carboxylate

SMILES: OCCN(CCO)c1nc(N2CCNCC2)c2nc(nc(N3CCN(CC3)C(=O)OCc3ccccc3)c2n1)N(CCO)CCO

InChI Key: InChIKey=DGJUIQONQJDIIP-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23628   

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))	BDBM23628 (Dipyridamole Analogue, 8 | benzyl 4-{2,6-bis[bis(2...) Show SMILES OCCN(CCO)c1nc(N2CCNCC2)c2nc(nc(N3CCN(CC3)C(=O)OCc3ccccc3)c2n1)N(CCO)CCO Show InChI InChI=1S/C30H44N10O6/c41-18-14-38(15-19-42)28-33-25-24(26(34-28)36-8-6-31-7-9-36)32-29(39(16-20-43)17-21-44)35-27(25)37-10-12-40(13-11-37)30(45)46-22-23-4-2-1-3-5-23/h1-5,31,41-44H,6-22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	449	-8.57	7.95E+3	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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