Found 2474 hits of ic50 for UniProtKB: P23975 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182758
(CHEMBL3819243)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ncccc1=O |r| Show InChI InChI=1S/C16H17ClFN3O2.ClH/c17-13-4-3-11(8-14(13)18)16-12(9-19-6-7-23-16)10-21-15(22)2-1-5-20-21;/h1-5,8,12,16,19H,6-7,9-10H2;1H/t12-,16-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0650 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182757
(CHEMBL3819201)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1ccccc1=O |r| Show InChI InChI=1S/C17H18ClFN2O2.ClH/c18-14-5-4-12(9-15(14)19)17-13(10-20-6-8-23-17)11-21-7-2-1-3-16(21)22;/h1-5,7,9,13,17,20H,6,8,10-11H2;1H/t13-,17-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0790 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182755
(CHEMBL3818117)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCNC1=O |r| Show InChI InChI=1S/C16H21ClFN3O2.ClH/c17-13-3-2-11(8-14(13)18)15-12(9-19-5-7-23-15)10-21-6-1-4-20-16(21)22;/h2-3,8,12,15,19H,1,4-7,9-10H2,(H,20,22);1H/t12-,15-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182754
(CHEMBL3817915)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCCC1=O |r| Show InChI InChI=1S/C17H22ClFN2O2.ClH/c18-14-5-4-12(9-15(14)19)17-13(10-20-6-8-23-17)11-21-7-2-1-3-16(21)22;/h4-5,9,13,17,20H,1-3,6-8,10-11H2;1H/t13-,17-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182753
(CHEMBL3818953)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1CN1CCCC1=O |r| Show InChI InChI=1S/C16H20ClFN2O2.ClH/c17-13-4-3-11(8-14(13)18)16-12(9-19-5-7-22-16)10-20-6-1-2-15(20)21;/h3-4,8,12,16,19H,1-2,5-7,9-10H2;1H/t12-,16-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182763
(CHEMBL3818901)Show SMILES Cl.COC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O |r| Show InChI InChI=1S/C19H20ClFN2O4.ClH/c1-26-19(25)14-3-2-7-23(18(14)24)11-13-10-22-6-8-27-17(13)12-4-5-15(20)16(21)9-12;/h2-5,7,9,13,17,22H,6,8,10-11H2,1H3;1H/t13-,17-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490621
(CHEMBL2338048)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558220
(CHEMBL4791288)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098412
(CHEMBL3593400)Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017 BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490595
(CHEMBL2337605)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490628
(CHEMBL2337586)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccccc1OC)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO2/c1-20-16-9-5-6-10-17(16)21-18(15-11-12-19-13-15)14-7-3-2-4-8-14/h2-10,15,18-19H,11-13H2,1H3/t15-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50349794
(CHEMBL1812750)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2 |r| Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12-,14+,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting |
J Med Chem 53: 8345-53 (2010)
Article DOI: 10.1021/jm100994w BindingDB Entry DOI: 10.7270/Q24M95H8 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490592
(CHEMBL2337595)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-7-4-8-16(11-15)20-17(14-9-10-19-12-14)13-5-2-1-3-6-13/h1-8,11,14,17,19H,9-10,12H2/t14-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490608
(CHEMBL2338036)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1OC)c1ccccc1 |r| Show InChI InChI=1S/C18H20ClNO2/c1-21-17-11-15(19)7-8-16(17)22-18(14-9-10-20-12-14)13-5-3-2-4-6-13/h2-8,11,14,18,20H,9-10,12H2,1H3/t14-,18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490594
(CHEMBL2337601)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1[N+]([O-])=O)c1ccccc1 |r| Show InChI InChI=1S/C17H18N2O3/c20-19(21)15-8-4-5-9-16(15)22-17(14-10-11-18-12-14)13-6-2-1-3-7-13/h1-9,14,17-18H,10-12H2/t14-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490637
(CHEMBL2338049)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(F)ccc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16ClF2NO/c18-15-13(19)6-7-14(20)17(15)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490604
(CHEMBL2338042)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM436444
((S)-9-methyl-6-(3-(3- (methylamino)-1- (thiophen-2...)Show SMILES CNCC[C@H](Oc1cccc(c1)N1CCN(C)c2nc(SC)ncc2C1=O)c1cccs1 |r| Show InChI InChI=1S/C23H27N5O2S2/c1-24-10-9-19(20-8-5-13-32-20)30-17-7-4-6-16(14-17)28-12-11-27(2)21-18(22(28)29)15-25-23(26-21)31-3/h4-8,13-15,19,24H,9-12H2,1-3H3/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in HEK293 cells assessed as reduction in ASP+ uptake incubated for 20 mins before ASP+ addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01867 BindingDB Entry DOI: 10.7270/Q2JW8JKT |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50118266
(9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...)Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Drew University
Curated by ChEMBL
| Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET) |
J Med Chem 45: 4097-109 (2002)
BindingDB Entry DOI: 10.7270/Q2MC90R8 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490622
(CHEMBL2338044)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1F)c1ccccc1 |r| Show InChI InChI=1S/C17H16F3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182762
(CHEMBL3818471)Show SMILES Cl.Cc1nnc([nH]1)-c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O |r| Show InChI InChI=1S/C20H21ClFN5O2.ClH/c1-12-24-19(26-25-12)15-3-2-7-27(20(15)28)11-14-10-23-6-8-29-18(14)13-4-5-16(21)17(22)9-13;/h2-5,7,9,14,18,23H,6,8,10-11H2,1H3,(H,24,25,26);1H/t14-,18-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098413
(CHEMBL3593399)Show SMILES Cl.CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9/h3-4,7,10,13,17H,5-6,8H2,1-2H3/t10-,13+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017 BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490632
(CHEMBL2338045)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H15Cl2F2NO/c18-14-12(20)8-13(21)15(19)17(14)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490630
(CHEMBL2338052)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)c(F)cc(F)c1F)c1ccccc1 |r| Show InChI InChI=1S/C17H15F4NO/c18-12-8-13(19)15(21)17(14(12)20)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490618
(Midalcipran | Milnacipran)Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490597
(CHEMBL2337591)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1C)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-14-7-5-6-10-17(14)20-18(16-11-12-19-13-16)15-8-3-2-4-9-15/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490612
(CHEMBL2337603)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-7-4-8-15(16(14)19)21-17(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,17,20H,9-11H2/t13-,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490609
(CHEMBL2338032)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cccc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-7-4-8-15(19)17(14)21-16(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,16,20H,9-11H2/t13-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50127392
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |THB:20:19:4.10.9:6.7,11:10:19:6.7,2:4:19:6.7| Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of Norepinephrine (NA) reuptake using cloned human Norepinephrine transporter was determined |
J Med Chem 46: 1775-94 (2003)
Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50349798
(CHEMBL1812746)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2 |r| Show InChI InChI=1S/C16H20ClNO2/c1-9-7-10(3-5-13(9)17)12-8-11-4-6-14(18-11)15(12)16(19)20-2/h3,5,7,11-12,14-15,18H,4,6,8H2,1-2H3/t11-,12+,14+,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting |
J Med Chem 53: 8345-53 (2010)
Article DOI: 10.1021/jm100994w BindingDB Entry DOI: 10.7270/Q24M95H8 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50005536
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description Inhibition of recombinant human NET expressed in HEK293 cell membranes assessed as reduction in [3H]-norepinephrine uptake incubated for 22 mins by m... |
J Med Chem 60: 3109-3123 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00141 BindingDB Entry DOI: 10.7270/Q2Z60RBZ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical and Pharmaceutical Industry Technology and Development Center
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI-55 from human NET expressed in MDCK cell membrane |
J Nat Prod 69: 1305-9 (2006)
Article DOI: 10.1021/np060207r BindingDB Entry DOI: 10.7270/Q2N29WQS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM170441
(US9085531, 2)Show InChI InChI=1S/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting |
ACS Med Chem Lett 5: 760-5 (2014)
Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50319578
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r| Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells |
J Med Chem 53: 4511-21 (2010)
Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182761
(CHEMBL3818345)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2noc(=O)[nH]2)c1=O |r| Show InChI InChI=1S/C19H18ClFN4O4.ClH/c20-14-4-3-11(8-15(14)21)16-12(9-22-5-7-28-16)10-25-6-1-2-13(18(25)26)17-23-19(27)29-24-17;/h1-4,6,8,12,16,22H,5,7,9-10H2,(H,23,24,27);1H/t12-,16-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490602
(CHEMBL2338047)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)cc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl2FNO/c18-13-8-14(19)17(15(20)9-13)22-16(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,16,21H,6-7,10H2/t12-,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490603
(CHEMBL2338046)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(Cl)c(F)cc(F)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H15Cl2F2NO/c18-14-12(20)8-13(21)15(19)17(14)23-16(11-6-7-22-9-11)10-4-2-1-3-5-10/h1-5,8,11,16,22H,6-7,9H2/t11-,16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50319577
(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)Show InChI InChI=1S/C16H18FN3O2S/c1-18-11-6-12-19-15-9-4-5-10-16(15)20(23(19,21)22)14-8-3-2-7-13(14)17/h2-5,7-10,18H,6,11-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells |
J Med Chem 53: 4511-21 (2010)
Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182759
(CHEMBL3819441)Show SMILES Cl.OC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O |r| Show InChI InChI=1S/C18H18ClFN2O4.ClH/c19-14-4-3-11(8-15(14)20)16-12(9-21-5-7-26-16)10-22-6-1-2-13(17(22)23)18(24)25;/h1-4,6,8,12,16,21H,5,7,9-10H2,(H,24,25);1H/t12-,16-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50349799
(CHEMBL1812745 | RTI-112)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:20:19:6.7:4.10.9| Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13+,15+,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting |
J Med Chem 53: 8345-53 (2010)
Article DOI: 10.1021/jm100994w BindingDB Entry DOI: 10.7270/Q24M95H8 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50319582
(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 4511-21 (2010)
Article DOI: 10.1021/jm100053t BindingDB Entry DOI: 10.7270/Q2PC32JR |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558224
(CHEMBL4753874)Show SMILES Cl.COCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50490593
(CHEMBL2338043)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1c(Cl)ccc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake |
Bioorg Med Chem Lett 23: 1456-61 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.061 BindingDB Entry DOI: 10.7270/Q2XD14M7 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50054533
(CHEMBL3323173)Show InChI InChI=1S/C19H19NS/c1-13-3-5-17-16(9-13)11-20(2)12-18(17)14-4-6-19-15(10-14)7-8-21-19/h3-10,18H,11-12H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting |
ACS Med Chem Lett 5: 760-5 (2014)
Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50307460
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H24F2N2O/c1-20(2)12-24(19-15(20)8-5-9-16(19)22)18(17(25)11-23-3)13-6-4-7-14(21)10-13/h4-10,17-18,23,25H,11-12H2,1-3H3/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells |
J Med Chem 53: 2051-62 (2010)
Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50182760
(CHEMBL3818946)Show SMILES Cl.Fc1cc(ccc1Cl)[C@@H]1OCCNC[C@H]1Cn1cccc(-c2nnn[nH]2)c1=O |r| Show InChI InChI=1S/C18H18ClFN6O2.ClH/c19-14-4-3-11(8-15(14)20)16-12(9-21-5-7-28-16)10-26-6-1-2-13(18(26)27)17-22-24-25-23-17;/h1-4,6,8,12,16,21H,5,7,9-10H2,(H,22,23,24,25);1H/t12-,16-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description Inhibition of human NET expressed in CHO cells assessed as [3H]-Norepinephrine reuptake incubated for 45 mins measured after 30 mins by topcount meth... |
Bioorg Med Chem 24: 3716-26 (2016)
Article DOI: 10.1016/j.bmc.2016.06.014 BindingDB Entry DOI: 10.7270/Q2NP26B4 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50118263
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1 |t:6| Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.46 | n/a | n/a | n/a | n/a | n/a | n/a |
Drew University
Curated by ChEMBL
| Assay Description Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET) |
J Med Chem 45: 4097-109 (2002)
BindingDB Entry DOI: 10.7270/Q2MC90R8 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Sogang University
Curated by ChEMBL
| Assay Description Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cells |
Bioorg Med Chem Lett 23: 5515-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.062 BindingDB Entry DOI: 10.7270/Q2B85C2T |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50558221
(CHEMBL4754287)Show SMILES Cl.CCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human NET expressed in CHO-K1 cells assessed as inhibition of [3H]-norepinephrine reuptake measured after 45 mins by Microscintillation... |
Citation and Details
Article DOI: 10.1016/j.bmc.2016.05.038 BindingDB Entry DOI: 10.7270/Q24B350H |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245811
((1S,2R)-1-(2-ethylphenoxy)-2-((methylamino)methyl)...)Show InChI InChI=1S/C19H23NO2/c1-3-14-8-5-7-11-17(14)22-18-16-10-6-4-9-15(16)12-19(18,21)13-20-2/h4-11,18,20-21H,3,12-13H2,1-2H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013 BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this Ligand-Target Pair | |