Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50044925 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM50036307
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50036309
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50036311
(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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50017691
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Equilibrative nucleoside transporter 1
(Homo sapiens (Human)) | BDBM50036308
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50036310
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50036306
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50036314
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50036313
(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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50036312
(CHEMBL3353075)Show SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H32N2O6/c1-30-21-17-20(18-22(31-2)23(21)32-3)25(29)33-16-8-12-26-11-7-13-27(15-14-26)24(28)19-9-5-4-6-10-19/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 803 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50036307
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 977 | n/a | n/a | n/a | n/a | n/a | n/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 2
(Rattus norvegicus) | BDBM50036308
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/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 2
(Rattus norvegicus) | BDBM50036306
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/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 2
(Rattus norvegicus) | BDBM50036309
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/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 2
(Rattus norvegicus) | BDBM50017691
(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 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |