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Compile Data Set for Download or QSAR

Found 163 hits of ic50 for UniProtKB: Q99808   
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))
BDBM50301066
PNG
(CHEMBL571939 | N-(6-(2-(((2S,3S,4R,5R)-3,4-dihydro...)
Show SMILES O[C@@H]1[C@@H](CSCCNC(=O)CCCCCNC(=O)c2cccc(I)c2)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C32H37IN8O7S/c33-22-6-4-5-21(15-22)31(45)35-12-3-1-2-7-25(42)34-13-14-49-17-24-27(43)28(44)32(48-24)40-19-39-26-29(37-18-38-30(26)40)36-16-20-8-10-23(11-9-20)41(46)47/h4-6,8-11,15,18-19,24,27-28,32,43-44H,1-3,7,12-14,16-17H2,(H,34,42)(H,35,45)(H,36,37,38)/t24-,27-,28-,32-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Ulm University

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in HL60 cells by flow cytometry


Bioorg Med Chem Lett 19: 5151-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.017
BindingDB Entry DOI: 10.7270/Q2QJ7HCF
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412033
PNG
(CHEMBL260688)
Show SMILES Nc1nc(SCc2cc(ccc2O)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H18N6O7S/c18-17-20-14-11(19-6-22(14)16-13(27)12(26)10(4-24)30-16)15(21-17)31-5-7-3-8(23(28)29)1-2-9(7)25/h1-3,6,10,12-13,16,24-27H,4-5H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
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n/an/a 2.75n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036307
PNG
(CHEMBL3353069)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCN1CCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
Show InChI InChI=1S/C28H38N2O10/c1-33-21-15-19(16-22(34-2)25(21)37-5)27(31)39-13-11-29-7-9-30(10-8-29)12-14-40-28(32)20-17-23(35-3)26(38-6)24(18-20)36-4/h15-18H,7-14H2,1-6H3
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n/an/a 2.80n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036309
PNG
(CHEMBL3353072)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCCN1CC(C)N(CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1C
Show InChI InChI=1S/C34H50N2O10/c1-23-21-36(14-10-12-16-46-34(38)26-19-29(41-5)32(44-8)30(20-26)42-6)24(2)22-35(23)13-9-11-15-45-33(37)25-17-27(39-3)31(43-7)28(18-25)40-4/h17-20,23-24H,9-16,21-22H2,1-8H3
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n/an/a 3.20n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036311
PNG
(CHEMBL3353074)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
Show InChI InChI=1S/C30H42N2O10/c1-35-23-17-21(18-24(36-2)27(23)39-5)29(33)41-15-8-11-31-9-7-10-32(13-12-31)14-16-42-30(34)22-19-25(37-3)28(40-6)26(20-22)38-4/h17-20H,7-16H2,1-6H3
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n/an/a 4.60n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412008
PNG
(CHEMBL259866)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3cccc(c3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O6S/c23-5-12-14(24)15(25)17(28-12)21-8-20-13-11(18-7-19-16(13)21)6-29-10-3-1-2-9(4-10)22(26)27/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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n/an/a 4.79n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50301067
PNG
(CHEMBL569223 | N-(6-(2-(((2S,3S,4R,5R)-3,4-dihydro...)
Show SMILES O[C@@H]1[C@@H](CSCCNC(=O)CCCCCNC(=O)c2ccc(F)cc2)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C32H37FN8O7S/c33-22-9-7-21(8-10-22)31(45)35-13-3-1-2-4-25(42)34-14-15-49-17-24-27(43)28(44)32(48-24)40-19-39-26-29(37-18-38-30(26)40)36-16-20-5-11-23(12-6-20)41(46)47/h5-12,18-19,24,27-28,32,43-44H,1-4,13-17H2,(H,34,42)(H,35,45)(H,36,37,38)/t24-,27-,28-,32-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Ulm University

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in HL60 cells by flow cytometry


Bioorg Med Chem Lett 19: 5151-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.017
BindingDB Entry DOI: 10.7270/Q2QJ7HCF
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50376975
PNG
(CHEMBL260570)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2ccc(cc2C1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-4-3-10-1-2-12(25(29)30)5-11(10)6-23/h1-2,5,8-9,13,15-16,19,26-28H,3-4,6-7H2/t13-,15-,16-,19-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
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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Article
PubMed
0.430 -12.6 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
3D
3D Structure (crystal)
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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n/an/a 8.51n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.490 -12.6 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 -12.3 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 -12.2 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))
BDBM50411998
PNG
(CHEMBL265689)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H18N6O5/c24-7-13-12(25)5-14(28-13)22-9-21-15-16(19-8-20-17(15)22)18-6-10-1-3-11(4-2-10)23(26)27/h1-4,8-9,12-14,24-25H,5-7H2,(H,18,19,20)/t12-,13+,14+/m0/s1
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n/an/a 15.8n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50017691
PNG
(CHEMBL126075 | dilazep)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
Show InChI InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3
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n/an/a 18n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036308
PNG
(CHEMBL3353071)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCCN1CCN(CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
Show InChI InChI=1S/C32H46N2O10/c1-37-25-19-23(20-26(38-2)29(25)41-5)31(35)43-17-9-7-11-33-13-15-34(16-14-33)12-8-10-18-44-32(36)24-21-27(39-3)30(42-6)28(22-24)40-4/h19-22H,7-18H2,1-6H3
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n/an/a 18n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222744
PNG
((2R,3R,4S,5R)-2-(6-(4-nitrobenzylthio)-2-amino-9H-...)
Show SMILES Nc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H18N6O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-1-3-9(4-2-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
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n/an/a 21.4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50411987
PNG
(CHEMBL260055)
Show SMILES C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H18N6O5/c1-9-13(24)14(25)17(28-9)22-8-21-12-15(19-7-20-16(12)22)18-6-10-2-4-11(5-3-10)23(26)27/h2-5,7-9,13-14,17,24-25H,6H2,1H3,(H,18,19,20)/t9-,13-,14-,17-/m1/s1
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n/an/a 21.9n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50411986
PNG
(CHEMBL260166)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H18N6O6/c24-6-11-13(25)14(26)17(29-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(4-2-9)23(27)28/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
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n/an/a 27.5n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036310
PNG
(CHEMBL3353073)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)C(C)(C)C1
Show InChI InChI=1S/C32H46N2O10/c1-32(2)21-33(11-9-15-43-30(35)22-17-24(37-3)28(41-7)25(18-22)38-4)13-14-34(32)12-10-16-44-31(36)23-19-26(39-5)29(42-8)27(20-23)40-6/h17-20H,9-16,21H2,1-8H3
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n/an/a 31n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412000
PNG
(CHEMBL410278)
Show SMILES OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H18N6O6/c24-6-11-13(25)14(26)17(29-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(4-2-9)23(27)28/h1-4,7-8,11,13-14,17,24-26H,5-6H2,(H,18,19,20)/t11-,13-,14+,17-/m1/s1
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n/an/a 31.6n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412042
PNG
(CHEMBL260882)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cc(ccc3O)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17N5O7S/c23-4-11-13(25)14(26)17(29-11)21-7-20-12-15(21)18-6-19-16(12)30-5-8-3-9(22(27)28)1-2-10(8)24/h1-3,6-7,11,13-14,17,23-26H,4-5H2/t11-,13-,14-,17-/m1/s1
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n/an/a 33.1n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036306
PNG
(CHEMBL3353070)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
Show InChI InChI=1S/C30H42N2O10/c1-35-23-17-21(18-24(36-2)27(23)39-5)29(33)41-15-7-9-31-11-13-32(14-12-31)10-8-16-42-30(34)22-19-25(37-3)28(40-6)26(20-22)38-4/h17-20H,7-16H2,1-6H3
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n/an/a 66n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412004
PNG
(CHEMBL260645)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(I)cc3)ncnc12
Show InChI InChI=1S/C17H17IN4O4S/c18-9-1-3-10(4-2-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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n/an/a 69.2n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23697
PNG
(2-({6-[(2-hydroxyethyl)[2-(propan-2-yloxy)ethyl]am...)
Show SMILES CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCOC(C)C
Show InChI InChI=1S/C30H52N8O4/c1-23(2)41-21-17-37(15-19-39)29-31-25-26(27(33-29)35-11-7-5-8-12-35)32-30(34-28(25)36-13-9-6-10-14-36)38(16-20-40)18-22-42-24(3)4/h23-24,39-40H,5-22H2,1-4H3
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4.30n/a 76n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412017
PNG
(CHEMBL409320)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(Cl)cc3Cl)ncnc12
Show InChI InChI=1S/C17H16Cl2N4O4S/c18-8-1-2-12(9(19)3-8)28-5-10-13-16(21-6-20-10)23(7-22-13)17-15(26)14(25)11(4-24)27-17/h1-3,6-7,11,14-15,17,24-26H,4-5H2/t11-,14-,15-,17-/m1/s1
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n/an/a 77.6n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412007
PNG
(CHEMBL408710)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(cc3)C#N)ncnc12
Show InChI InChI=1S/C18H17N5O4S/c19-5-10-1-3-11(4-2-10)28-7-12-14-17(21-8-20-12)23(9-22-14)18-16(26)15(25)13(6-24)27-18/h1-4,8-9,13,15-16,18,24-26H,6-7H2/t13-,15-,16-,18-/m1/s1
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n/an/a 81.3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50411995
PNG
(CHEMBL258627)
Show SMILES Cc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1[N+]([O-])=O
Show InChI InChI=1S/C18H20N6O6/c1-9-4-10(2-3-11(9)24(28)29)5-19-16-13-17(21-7-20-16)23(8-22-13)18-15(27)14(26)12(6-25)30-18/h2-4,7-8,12,14-15,18,25-27H,5-6H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a 87.1n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036314
PNG
(CHEMBL3353077)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCN1CCCN(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
Show InChI InChI=1S/C31H46N4O8/c1-38-24-18-22(19-25(39-2)28(24)42-5)30(36)32-10-7-12-34-14-9-15-35(17-16-34)13-8-11-33-31(37)23-20-26(40-3)29(43-6)27(21-23)41-4/h18-21H,7-17H2,1-6H3,(H,32,36)(H,33,37)
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n/an/a 94n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50411988
PNG
(CHEMBL411899)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CCl)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12
Show InChI InChI=1S/C17H17ClN6O5/c18-5-11-13(25)14(26)17(29-11)23-8-22-12-15(20-7-21-16(12)23)19-6-9-1-3-10(4-2-9)24(27)28/h1-4,7-8,11,13-14,17,25-26H,5-6H2,(H,19,20,21)/t11-,13-,14-,17-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412003
PNG
(CHEMBL410465)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(OC(F)(F)F)cc3)ncnc12
Show InChI InChI=1S/C18H17F3N4O5S/c19-18(20,21)30-9-1-3-10(4-2-9)31-6-11-13-16(23-7-22-11)25(8-24-13)17-15(28)14(27)12(5-26)29-17/h1-4,7-8,12,14-15,17,26-28H,5-6H2/t12-,14-,15-,17-/m1/s1
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n/an/a 123n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
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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8.18 -10.9 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))
BDBM23692
PNG
(Dipyridamole Analogue, 74 | {2-[(6-{bis[2-(formylo...)
Show SMILES O=COCCN(CCOC=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC=O)CCOC=O
Show InChI InChI=1S/C28H40N8O8/c37-19-41-15-11-35(12-16-42-20-38)27-30-24-23(25(31-27)33-7-3-1-4-8-33)29-28(32-26(24)34-9-5-2-6-10-34)36(13-17-43-21-39)14-18-44-22-40/h19-22H,1-18H2
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8.20n/a 145n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412048
PNG
(CHEMBL265930)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(F)cc3)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-9-1-3-10(4-2-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412056
PNG
(CHEMBL263651)
Show SMILES Nc1nc(SCc2cccc(c2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C17H18N6O6S/c18-17-20-14-11(19-7-22(14)16-13(26)12(25)10(5-24)29-16)15(21-17)30-6-8-2-1-3-9(4-8)23(27)28/h1-4,7,10,12-13,16,24-26H,5-6H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
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n/an/a 178n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412049
PNG
(CHEMBL411065)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(Br)cc3)ncnc12
Show InChI InChI=1S/C17H17BrN4O4S/c18-9-1-3-10(4-2-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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n/an/a 178n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50376976
PNG
(CHEMBL261227)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2cc(ccc2C1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N6O6/c26-7-13-15(27)16(28)19(31-13)24-9-22-14-17(20-8-21-18(14)24)23-4-3-10-5-12(25(29)30)2-1-11(10)6-23/h1-2,5,8-9,13,15-16,19,26-28H,3-4,6-7H2/t13-,15-,16-,19-/m1/s1
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PubMed
n/an/a 182n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50411990
PNG
(CHEMBL261793)
Show SMILES CC(=O)Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C19H22N6O5/c1-10(27)24-12-4-2-11(3-5-12)6-20-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)13(7-26)30-19/h2-5,8-9,13,15-16,19,26,28-29H,6-7H2,1H3,(H,24,27)(H,20,21,22)/t13-,15-,16-,19-/m1/s1
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n/an/a 182n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412010
PNG
(CHEMBL259303)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C17H17FN4O4S/c18-9-2-1-3-10(4-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50036313
PNG
(CHEMBL3353076)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H34N2O5/c1-29-22-17-21(18-23(30-2)24(22)31-3)25(28)32-16-8-13-26-11-7-12-27(15-14-26)19-20-9-5-4-6-10-20/h4-6,9-10,17-18H,7-8,11-16,19H2,1-3H3
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PubMed
n/an/a 217n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-uridine uptake assay


Bioorg Med Chem Lett 24: 5801-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.026
BindingDB Entry DOI: 10.7270/Q26M38FZ
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412013
PNG
(CHEMBL259759)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(Cl)c(Cl)c3)ncnc12
Show InChI InChI=1S/C17H16Cl2N4O4S/c18-9-2-1-8(3-10(9)19)28-5-11-13-16(21-6-20-11)23(7-22-13)17-15(26)14(25)12(4-24)27-17/h1-3,6-7,12,14-15,17,24-26H,4-5H2/t12-,14-,15-,17-/m1/s1
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n/an/a 224n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412009
PNG
(CHEMBL259301)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C17H17IN4O4S/c18-9-2-1-3-10(4-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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PubMed
n/an/a 245n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412005
PNG
(CHEMBL411710)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccc(Cl)cc3)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-9-1-3-10(4-2-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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PubMed
n/an/a 251n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23676
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis[(2,2-dime...)
Show SMILES CC(C)(C)CNc1nc(nc2c(NCC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
Show InChI InChI=1S/C24H44N8O4/c1-23(2,3)15-25-19-17-18(28-21(29-19)31(7-11-33)8-12-34)20(26-16-24(4,5)6)30-22(27-17)32(9-13-35)10-14-36/h33-36H,7-16H2,1-6H3,(H,25,28,29)(H,26,27,30)
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14.7n/a 260n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23682
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclopent...)
Show SMILES OCCN(CCO)c1nc(NC2CCCC2)c2nc(nc(NC3CCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-13-9-31(10-14-34)23-28-20-19(21(29-23)25-17-5-1-2-6-17)27-24(32(11-15-35)12-16-36)30-22(20)26-18-7-3-4-8-18/h17-18,33-36H,1-16H2,(H,25,28,29)(H,26,27,30)
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15.8n/a 280n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412051
PNG
(CHEMBL261528)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3ccccc3I)ncnc12
Show InChI InChI=1S/C17H17IN4O4S/c18-9-3-1-2-4-12(9)27-6-10-13-16(20-7-19-10)22(8-21-13)17-15(25)14(24)11(5-23)26-17/h1-4,7-8,11,14-15,17,23-25H,5-6H2/t11-,14-,15-,17-/m1/s1
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PubMed
n/an/a 282n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412050
PNG
(CHEMBL259189)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CSc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C17H17ClN4O4S/c18-9-2-1-3-10(4-9)27-6-11-13-16(20-7-19-11)22(8-21-13)17-15(25)14(24)12(5-23)26-17/h1-4,7-8,12,14-15,17,23-25H,5-6H2/t12-,14-,15-,17-/m1/s1
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n/an/a 282n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23670
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(tert-buty...)
Show SMILES CC(C)(C)Nc1nc(nc2c(NC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
Show InChI InChI=1S/C22H40N8O4/c1-21(2,3)27-17-15-16(24-19(25-17)29(7-11-31)8-12-32)18(28-22(4,5)6)26-20(23-15)30(9-13-33)10-14-34/h31-34H,7-14H2,1-6H3,(H,24,25,27)(H,23,26,28)
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16.8n/a 297n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM23693
PNG
(2-[(6-{bis[2-(acetyloxy)ethyl]amino}-4,8-bis(piper...)
Show SMILES CC(=O)OCCN(CCOC(C)=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC(C)=O)CCOC(C)=O
Show InChI InChI=1S/C32H48N8O8/c1-23(41)45-19-15-39(16-20-46-24(2)42)31-33-27-28(29(35-31)37-11-7-5-8-12-37)34-32(36-30(27)38-13-9-6-10-14-38)40(17-21-47-25(3)43)18-22-48-26(4)44/h5-22H2,1-4H3
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17.1n/a 302n/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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50411979
PNG
(CHEMBL427558)
Show SMILES CN(Cc1ccc(cc1)[N+]([O-])=O)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H20N6O6/c1-22(6-10-2-4-11(5-3-10)24(28)29)16-13-17(20-8-19-16)23(9-21-13)18-15(27)14(26)12(7-25)30-18/h2-5,8-9,12,14-15,18,25-27H,6-7H2,1H3/t12-,14-,15-,18-/m1/s1
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PubMed
n/an/a 309n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to ENT1 transporter


Bioorg Med Chem 16: 3848-65 (2008)


Article DOI: 10.1016/j.bmc.2008.01.044
BindingDB Entry DOI: 10.7270/Q2GM8866
More data for this
Ligand-Target Pair
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