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BDBM23637 2-{[4,8-bis({4-azatricyclo[4.3.1.1^{3,8}]undecan-4-yl})-6-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl](2-hydroxyethyl)amino}ethan-1-ol::Dipyridamole Analogue, 19

SMILES: OCCN(CCO)c1nc(N2CC3CC4CC(C3)CC2C4)c2nc(nc(N3CC4CC5CC(C4)CC3C5)c2n1)N(CCO)CCO

InChI Key: InChIKey=JCUFRZDEDGSDIS-UHFFFAOYSA-N

Data: 1 Other

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23637   
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))		BDBM23637
PNG
(2-{[4,8-bis({4-azatricyclo[4.3.1.1^{3,8}]undecan-4...)
Show SMILES OCCN(CCO)c1nc(N2CC3CC4CC(C3)CC2C4)c2nc(nc(N3CC4CC5CC(C4)CC3C5)c2n1)N(CCO)CCO |TLB:33:32:36:29.28.27.26,33:28:36:34.31.32,27:28:36.35.34:31,17:16:20:13.12.11.10,17:12:20:18.15.16,11:12:20.19.18:15,THB:26:35:31:29.28.33,25:26:36:34.31.32,9:10:20:18.15.16,10:19:15:13.12.17|
Show InChI InChI=1S/C34H52N8O4/c43-5-1-39(2-6-44)33-35-29-30(31(37-33)41-19-25-11-21-9-22(12-25)16-27(41)15-21)36-34(40(3-7-45)4-8-46)38-32(29)42-20-26-13-23-10-24(14-26)18-28(42)17-23/h21-28,43-46H,1-20H2
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Similars
Article
PubMed
n/an/an/an/an/an/an/a7.422



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