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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'furr' and Initial = 'j'   
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


(Homo sapiens (Human))
BDBM50370291
PNG
(CHEMBL608208)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2ccc(cc2C1)[N+]([O-])=O |r|
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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0.450n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...


J Med Chem 46: 831-7 (2003)


Article DOI: 10.1021/jm020405p
BindingDB Entry DOI: 10.7270/Q21R6R8G
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(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
0.700n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...


J Med Chem 46: 831-7 (2003)


Article DOI: 10.1021/jm020405p
BindingDB Entry DOI: 10.7270/Q21R6R8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370288
PNG
(CHEMBL607631)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2cc(ccc2C1)[N+]([O-])=O |r|
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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15n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...


J Med Chem 46: 831-7 (2003)


Article DOI: 10.1021/jm020405p
BindingDB Entry DOI: 10.7270/Q21R6R8G
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370292
PNG
(CHEMBL608205)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C19H21N5O4/c25-8-13-15(26)16(27)19(28-13)24-10-22-14-17(20-9-21-18(14)24)23-6-5-11-3-1-2-4-12(11)7-23/h1-4,9-10,13,15-16,19,25-27H,5-8H2/t13-,15-,16-,19?/m1/s1
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150n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...


J Med Chem 46: 831-7 (2003)


Article DOI: 10.1021/jm020405p
BindingDB Entry DOI: 10.7270/Q21R6R8G
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370289
PNG
(CHEMBL608481)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2c(C1)cccc2[N+]([O-])=O |r|
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)23-5-4-11-10(6-23)2-1-3-12(11)25(29)30/h1-3,8-9,13,15-16,19,26-28H,4-7H2/t13-,15-,16-,19?/m1/s1
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250n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...


J Med Chem 46: 831-7 (2003)


Article DOI: 10.1021/jm020405p
BindingDB Entry DOI: 10.7270/Q21R6R8G
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50370290
PNG
(CHEMBL608227)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCc2cccc(c2C1)[N+]([O-])=O |r|
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)23-5-4-10-2-1-3-12(25(29)30)11(10)6-23/h1-3,8-9,13,15-16,19,26-28H,4-7H2/t13-,15-,16-,19?/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...


J Med Chem 46: 831-7 (2003)


Article DOI: 10.1021/jm020405p
BindingDB Entry DOI: 10.7270/Q21R6R8G
More data for this
Ligand-Target Pair