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18 similar compounds to monomer 50370558

Compile data set for download or QSAR
Wt: 478.4
BDBM50222739
Wt: 522.5
BDBM50222751
Wt: 429.4
BDBM50370557
Wt: 403.4
BDBM50370559
Wt: 457.5
BDBM50370560
Wt: 417.4
BDBM50370561
Wt: 473.5
BDBM50370562
Wt: 431.5
BDBM50370563
Wt: 457.5
BDBM50370564
Wt: 459.5
BDBM50370565
Wt: 445.5
BDBM50370566
Wt: 471.5
BDBM50370567
Wt: 459.5
BDBM50370568
Wt: 399.4
BDBM50413739
Wt: 388.4
BDBM50412070
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50222739,50222751,50370557,50370559,50370560,50370561,50370562,50370563,50370564,50370565,50370566,50370567,50370568,50413739,50412070   
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))
BDBM50370560
PNG
(CHEMBL610234)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CCCC2)nc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1/C22H27N5O4S/c28-10-15-17(29)18(30)21(31-15)27-19-16(26-22(27)25-14-8-4-5-9-14)20(24-12-23-19)32-11-13-6-2-1-3-7-13/h1-3,6-7,12,14-15,17-18,21,28-30H,4-5,8-11H2,(H,25,26)/t15-,17-,18-,21?/s2
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0.640n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370567
PNG
(CHEMBL608795)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CCCCC2)nc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1/C23H29N5O4S/c29-11-16-18(30)19(31)22(32-16)28-20-17(27-23(28)26-15-9-5-2-6-10-15)21(25-13-24-20)33-12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-16,18-19,22,29-31H,2,5-6,9-12H2,(H,26,27)/t16-,18-,19-,22?/s2
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0.940n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370565
PNG
(CHEMBL610047)
Show SMILES CCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C22H29N5O4S/c1-2-3-7-10-23-22-26-16-19(27(22)21-18(30)17(29)15(11-28)31-21)24-13-25-20(16)32-12-14-8-5-4-6-9-14/h4-6,8-9,13,15,17-18,21,28-30H,2-3,7,10-12H2,1H3,(H,23,26)/t15-,17-,18-,21?/s2
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2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370557
PNG
(CHEMBL607955)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(NC2CC2)nc2c(SCc3ccccc3)ncnc12
Show InChI InChI=1/C20H23N5O4S/c26-8-13-15(27)16(28)19(29-13)25-17-14(24-20(25)23-12-6-7-12)18(22-10-21-17)30-9-11-4-2-1-3-5-11/h1-5,10,12-13,15-16,19,26-28H,6-9H2,(H,23,24)/t13-,15-,16-,19?/s2
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3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370568
PNG
(CHEMBL610236)
Show SMILES CCC(C)CNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C22H29N5O4S/c1-3-13(2)9-23-22-26-16-19(27(22)21-18(30)17(29)15(10-28)31-21)24-12-25-20(16)32-11-14-7-5-4-6-8-14/h4-8,12-13,15,17-18,21,28-30H,3,9-11H2,1-2H3,(H,23,26)/t13?,15-,17-,18-,21?/s2
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3.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370562
PNG
(CHEMBL610235)
Show SMILES CCCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C23H31N5O4S/c1-2-3-4-8-11-24-23-27-17-20(28(23)22-19(31)18(30)16(12-29)32-22)25-14-26-21(17)33-13-15-9-6-5-7-10-15/h5-7,9-10,14,16,18-19,22,29-31H,2-4,8,11-13H2,1H3,(H,24,27)/t16-,18-,19-,22?/s2
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3.70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370563
PNG
(CHEMBL609378)
Show SMILES CCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C20H25N5O4S/c1-2-8-21-20-24-14-17(25(20)19-16(28)15(27)13(9-26)29-19)22-11-23-18(14)30-10-12-6-4-3-5-7-12/h3-7,11,13,15-16,19,26-28H,2,8-10H2,1H3,(H,21,24)/t13-,15-,16-,19?/s2
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5.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370566
PNG
(CHEMBL608794)
Show SMILES CCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C21H27N5O4S/c1-2-3-9-22-21-25-15-18(26(21)20-17(29)16(28)14(10-27)30-20)23-12-24-19(15)31-11-13-7-5-4-6-8-13/h4-8,12,14,16-17,20,27-29H,2-3,9-11H2,1H3,(H,22,25)/t14-,16-,17-,20?/s2
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5.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370561
PNG
(CHEMBL609377)
Show SMILES CCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C19H23N5O4S/c1-2-20-19-23-13-16(24(19)18-15(27)14(26)12(8-25)28-18)21-10-22-17(13)29-9-11-6-4-3-5-7-11/h3-7,10,12,14-15,18,25-27H,2,8-9H2,1H3,(H,20,23)/t12-,14-,15-,18?/s2
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9.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/s2
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16.2n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370559
PNG
(CHEMBL609662)
Show SMILES CNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1/C18H21N5O4S/c1-19-18-22-12-15(23(18)17-14(26)13(25)11(7-24)27-17)20-9-21-16(12)28-8-10-5-3-2-4-6-10/h2-6,9,11,13-14,17,24-26H,7-8H2,1H3,(H,19,22)/t11-,13-,14-,17?/s2
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28n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50413739
PNG
(CHEMBL471062)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3cccc(c3)C#N)ncnc12
Show InChI InChI=1/C18H17N5O4S/c19-5-10-2-1-3-11(4-10)7-28-17-13-16(20-8-21-17)23(9-22-13)18-15(26)14(25)12(6-24)27-18/h1-4,8-9,12,14-15,18,24-26H,6-7H2/t12-,14-,15-,18-/s2
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36.3n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibition of human ENT1


Bioorg Med Chem Lett 19: 314-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.092
BindingDB Entry DOI: 10.7270/Q2H996F3
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222739
PNG
(2-monoethanolamino-6-(4-nitrobenzylthio)-9-beta-D-...)
Show SMILES OCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C19H22N6O7S/c26-6-5-20-19-22-16-13(21-9-24(16)18-15(29)14(28)12(7-27)32-18)17(23-19)33-8-10-1-3-11(4-2-10)25(30)31/h1-4,9,12,14-15,18,26-29H,5-8H2,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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86n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50222751
PNG
(2-diethanolamino-6-(4-nitrobenzylthio)-9-beta-D-ri...)
Show SMILES OCCN(CCO)c1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H26N6O8S/c28-7-5-25(6-8-29)21-23-18-15(22-11-26(18)20-17(32)16(31)14(9-30)35-20)19(24-21)36-10-12-1-3-13(4-2-12)27(33)34/h1-4,11,14,16-17,20,28-32H,5-10H2/t14-,16-,17-,20-/m1/s1
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243n/an/an/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry


Bioorg Med Chem 15: 7726-37 (2007)


Article DOI: 10.1016/j.bmc.2007.08.058
BindingDB Entry DOI: 10.7270/Q26Q1WZD
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50370564
PNG
(CHEMBL609365)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(nc2c(SCc3ccccc3)ncnc12)N1CCCCC1
Show InChI InChI=1/C22H27N5O4S/c28-11-15-17(29)18(30)21(31-15)27-19-16(25-22(27)26-9-5-2-6-10-26)20(24-13-23-19)32-12-14-7-3-1-4-8-14/h1,3-4,7-8,13,15,17-18,21,28-30H,2,5-6,9-12H2/t15-,17-,18-,21?/s2
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744n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/s2
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1.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/s2
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Adenosine kinase


(Toxoplasma gondii)
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/s2
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n/an/a 8.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Toxoplasma gondii adenosine kinase


Citation and Details
More data for this
Ligand-Target Pair
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50412070
PNG
(CHEMBL59168)
Show SMILES Cc1cccc(CSc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
Show InChI InChI=1/C18H20N4O4S/c1-10-3-2-4-11(5-10)7-27-17-13-16(19-8-20-17)22(9-21-13)18-15(25)14(24)12(6-23)26-18/h2-5,8-9,12,14-15,18,23-25H,6-7H2,1H3/t12-,14-,15-,18-/s2
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PubMed
n/an/a 1.20E+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