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BDBM23647 2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[bis(2-methylpropyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol::Dipyridamole Analogue, 29

SMILES: CC(C)CN(CC(C)C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CC(C)C)CC(C)C)N(CCO)CCO

InChI Key: InChIKey=WIEHRMSQXIYQJQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23647   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))		BDBM23647
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[bis(2-met...)
Show SMILES CC(C)CN(CC(C)C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CC(C)C)CC(C)C)N(CCO)CCO
Show InChI InChI=1S/C30H56N8O4/c1-21(2)17-37(18-22(3)4)27-25-26(32-29(33-27)35(9-13-39)10-14-40)28(38(19-23(5)6)20-24(7)8)34-30(31-25)36(11-15-41)12-16-42/h21-24,39-42H,9-20H2,1-8H3
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Similars
Article
PubMed
n/an/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair