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Compile Data Set for Download or QSAR

Found 28 hits of ph data with Target = 'Equilibrative Nucleoside Transporter 1 (ENT1)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM23617
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14-,17-/m1/s1
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PubMed
0.430 -52.9 7.60n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23631
PNG
(2-{[4,8-bis(azocan-1-yl)-6-[bis(2-hydroxyethyl)ami...)
Show SMILES OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(nc(N3CCCCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C28H48N8O4/c37-19-15-35(16-20-38)27-30-24-23(25(31-27)33-11-7-3-1-4-8-12-33)29-28(36(17-21-39)18-22-40)32-26(24)34-13-9-5-2-6-10-14-34/h37-40H,1-22H2
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PubMed
0.490 -52.6 8.67n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23633
PNG
(2-{[4,8-bis(azonan-1-yl)-6-[bis(2-hydroxyethyl)ami...)
Show SMILES OCCN(CCO)c1nc(N2CCCCCCCC2)c2nc(nc(N3CCCCCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C30H52N8O4/c39-21-17-37(18-22-40)29-32-26-25(27(33-29)35-13-9-5-1-2-6-10-14-35)31-30(38(19-23-41)20-24-42)34-28(26)36-15-11-7-3-4-8-12-16-36/h39-42H,1-24H2
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0.770 -51.5 13.6n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23629
PNG
(2-{[4,8-bis(azepan-1-yl)-6-[bis(2-hydroxyethyl)ami...)
Show SMILES OCCN(CCO)c1nc(N2CCCCCC2)c2nc(nc(N3CCCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C26H44N8O4/c35-17-13-33(14-18-36)25-28-22-21(23(29-25)31-9-5-1-2-6-10-31)27-26(34(15-19-37)16-20-38)30-24(22)32-11-7-3-4-8-12-32/h35-38H,1-20H2
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0.860 -51.2 15.2n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
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PubMed
8.18 -45.7 145n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23632
PNG
(2-{[4,8-bis(azocan-1-yl)-6-[(2-hydroxyethyl)amino]...)
Show SMILES OCCNc1nc(N2CCCCCCC2)c2nc(NCCO)nc(N3CCCCCCC3)c2n1
Show InChI InChI=1S/C24H40N8O2/c33-17-11-25-23-28-20-19(21(29-23)31-13-7-3-1-4-8-14-31)27-24(26-12-18-34)30-22(20)32-15-9-5-2-6-10-16-32/h33-34H,1-18H2,(H,25,28,29)(H,26,27,30)
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PubMed
21.2 -43.4 375n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23634
PNG
(2-{[4,8-bis(azonan-1-yl)-6-[(2-hydroxyethyl)amino]...)
Show SMILES OCCNc1nc(N2CCCCCCCC2)c2nc(NCCO)nc(N3CCCCCCCC3)c2n1
Show InChI InChI=1S/C26H44N8O2/c35-19-13-27-25-30-22-21(23(31-25)33-15-9-5-1-2-6-10-16-33)29-26(28-14-20-36)32-24(22)34-17-11-7-3-4-8-12-18-34/h35-36H,1-20H2,(H,27,30,31)(H,28,29,32)
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38 -41.9 672n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23622
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(pyrrolidi...)
Show SMILES OCCN(CCO)c1nc(N2CCCC2)c2nc(nc(N3CCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C22H36N8O4/c31-13-9-29(10-14-32)21-24-18-17(19(25-21)27-5-1-2-6-27)23-22(30(11-15-33)12-16-34)26-20(18)28-7-3-4-8-28/h31-34H,1-16H2
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PubMed
99.7 -39.6 1.76E+3n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23635
PNG
(2-{[4,8-bis({8-azabicyclo[3.2.1]octan-8-yl})-6-[bi...)
Show SMILES OCCN(CCO)c1nc(N2C3CCC2CCC3)c2nc(nc(N3C4CCC3CCC4)c2n1)N(CCO)CCO
Show InChI InChI=1S/C28H44N8O4/c37-15-11-33(12-16-38)27-30-24-23(25(31-27)35-19-3-1-4-20(35)8-7-19)29-28(34(13-17-39)14-18-40)32-26(24)36-21-5-2-6-22(36)10-9-21/h19-22,37-40H,1-18H2
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193 -37.9 3.42E+3n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23641
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(diethylam...)
Show SMILES CCN(CC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CC)CC)N(CCO)CCO
Show InChI InChI=1S/C22H40N8O4/c1-5-27(6-2)19-17-18(24-21(25-19)29(9-13-31)10-14-32)20(28(7-3)8-4)26-22(23-17)30(11-15-33)12-16-34/h31-34H,5-16H2,1-4H3
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216 -37.7 3.83E+3n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23639
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dimethyla...)
Show SMILES CN(C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(C)C)N(CCO)CCO
Show InChI InChI=1S/C18H32N8O4/c1-23(2)15-13-14(20-17(21-15)25(5-9-27)6-10-28)16(24(3)4)22-18(19-13)26(7-11-29)8-12-30/h27-30H,5-12H2,1-4H3
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217 -37.7 3.83E+3n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23619
PNG
(2-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}...)
Show SMILES Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)
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280 -37.0 4.95E+3n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23624
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(morpholin...)
Show SMILES OCCN(CCO)c1nc(N2CCOCC2)c2nc(nc(N3CCOCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C22H36N8O6/c31-9-1-29(2-10-32)21-23-17-18(19(25-21)27-5-13-35-14-6-27)24-22(30(3-11-33)4-12-34)26-20(17)28-7-15-36-16-8-28/h31-34H,1-16H2
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393 -36.2 6.96E+3n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23628
PNG
(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
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449 -35.9 7.95E+3n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23621
PNG
(2-({6-[(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-...)
Show SMILES OCCNc1nc(N2CCCCC2)c2nc(NCCO)nc(N3CCCCC3)c2n1
Show InChI InChI=1S/C20H32N8O2/c29-13-7-21-19-24-16-15(17(25-19)27-9-3-1-4-10-27)23-20(22-8-14-30)26-18(16)28-11-5-2-6-12-28/h29-30H,1-14H2,(H,21,24,25)(H,22,23,26)
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691 -34.8 1.22E+4n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23623
PNG
(2-({6-[(2-hydroxyethyl)amino]-4,8-bis(pyrrolidin-1...)
Show SMILES OCCNc1nc(N2CCCC2)c2nc(NCCO)nc(N3CCCC3)c2n1
Show InChI InChI=1S/C18H28N8O2/c27-11-5-19-17-22-14-13(15(23-17)25-7-1-2-8-25)21-18(20-6-12-28)24-16(14)26-9-3-4-10-26/h27-28H,1-12H2,(H,19,22,23)(H,20,21,24)
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23636
PNG
(2-{[4,8-bis({8-azabicyclo[3.2.1]octan-8-yl})-6-[(2...)
Show SMILES OCCNc1nc(N2C3CCC2CCC3)c2nc(NCCO)nc(N3C4CCC3CCC4)c2n1
Show InChI InChI=1S/C24H36N8O2/c33-13-11-25-23-28-20-19(21(29-23)31-15-3-1-4-16(31)8-7-15)27-24(26-12-14-34)30-22(20)32-17-5-2-6-18(32)10-9-17/h15-18,33-34H,1-14H2,(H,25,28,29)(H,26,27,30)
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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
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
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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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23638
PNG
(2-{[4,8-bis({4-azatricyclo[4.3.1.1^{3,8}]undecan-4...)
Show SMILES OCCNc1nc(N2CC3CC4CC(C3)CC2C4)c2nc(NCCO)nc(N3CC4CC5CC(C4)CC3C5)c2n1
Show InChI InChI=1S/C30H44N8O2/c39-3-1-31-29-33-25-26(27(35-29)37-15-21-7-17-5-18(8-21)12-23(37)11-17)34-30(32-2-4-40)36-28(25)38-16-22-9-19-6-20(10-22)14-24(38)13-19/h17-24,39-40H,1-16H2,(H,31,33,35)(H,32,34,36)
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23640
PNG
(2-{[4,8-bis(dimethylamino)-6-[(2-hydroxyethyl)amin...)
Show SMILES CN(C)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(C)C
Show InChI InChI=1S/C14H24N8O2/c1-21(2)11-9-10(18-13(19-11)15-5-7-23)12(22(3)4)20-14(17-9)16-6-8-24/h23-24H,5-8H2,1-4H3,(H,15,18,19)(H,16,17,20)
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23645
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dibutylam...)
Show SMILES CCCCN(CCCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCCC)CCCC)N(CCO)CCO
Show InChI InChI=1S/C30H56N8O4/c1-5-9-13-35(14-10-6-2)27-25-26(32-29(33-27)37(17-21-39)18-22-40)28(36(15-11-7-3)16-12-8-4)34-30(31-25)38(19-23-41)20-24-42/h39-42H,5-24H2,1-4H3
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23642
PNG
(2-{[4,8-bis(diethylamino)-6-[(2-hydroxyethyl)amino...)
Show SMILES CCN(CC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CC)CC
Show InChI InChI=1S/C18H32N8O2/c1-5-25(6-2)15-13-14(22-17(23-15)19-9-11-27)16(26(7-3)8-4)24-18(21-13)20-10-12-28/h27-28H,5-12H2,1-4H3,(H,19,22,23)(H,20,21,24)
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23643
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(dipropyla...)
Show SMILES CCCN(CCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCC)CCC)N(CCO)CCO
Show InChI InChI=1S/C26H48N8O4/c1-5-9-31(10-6-2)23-21-22(28-25(29-23)33(13-17-35)14-18-36)24(32(11-7-3)12-8-4)30-26(27-21)34(15-19-37)16-20-38/h35-38H,5-20H2,1-4H3
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23644
PNG
(2-{[4,8-bis(dipropylamino)-6-[(2-hydroxyethyl)amin...)
Show SMILES CCCN(CCC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCC)CCC
Show InChI InChI=1S/C22H40N8O2/c1-5-11-29(12-6-2)19-17-18(26-21(27-19)23-9-15-31)20(30(13-7-3)14-8-4)28-22(25-17)24-10-16-32/h31-32H,5-16H2,1-4H3,(H,23,26,27)(H,24,25,28)
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23625
PNG
(2-({6-[(2-hydroxyethyl)amino]-4,8-bis(morpholin-4-...)
Show SMILES OCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1
Show InChI InChI=1S/C18H28N8O4/c27-7-1-19-17-21-13-14(15(23-17)25-3-9-29-10-4-25)22-18(20-2-8-28)24-16(13)26-5-11-30-12-6-26/h27-28H,1-12H2,(H,19,21,23)(H,20,22,24)
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23626
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(4-methylp...)
Show SMILES CN1CCN(CC1)c1nc(nc2c(nc(nc12)N(CCO)CCO)N1CCN(C)CC1)N(CCO)CCO
Show InChI InChI=1S/C24H42N10O4/c1-29-3-7-31(8-4-29)21-19-20(26-23(27-21)33(11-15-35)12-16-36)22(32-9-5-30(2)6-10-32)28-24(25-19)34(13-17-37)14-18-38/h35-38H,3-18H2,1-2H3
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23630
PNG
(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)
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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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (human))
BDBM23627
PNG
(Dipyridamole Analogue, 7 | tert-butyl 4-{2,6-bis[b...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc(nc2c(nc(nc12)N(CCO)CCO)N1CCN(CC1)C(=O)OC(C)(C)C)N(CCO)CCO
Show InChI InChI=1S/C32H54N10O8/c1-31(2,3)49-29(47)41-11-7-37(8-12-41)25-23-24(34-27(35-25)39(15-19-43)16-20-44)26(36-28(33-23)40(17-21-45)18-22-46)38-9-13-42(14-10-38)30(48)50-32(4,5)6/h43-46H,7-22H2,1-6H3
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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