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4 similar compounds to monomer 50017691

Compile data set for download or QSAR
Wt: 618.7
BDBM50036310
Wt: 590.6
BDBM50036311
Wt: 590.6
BDBM50036306
Wt: 442.5
BDBM50036313

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50036310,50036311,50036306,50036313   
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))
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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Article
PubMed
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))
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 2


(Rattus norvegicus)
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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Article
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of rat ENT2 expressed in rat H9c2 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))
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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Article
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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))
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
PDB

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Article
PubMed
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