Found 166 hits Enz. Inhib. hit(s) with all data for entry = 50005283 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 |
Sodium-dependent dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490599
(CHEMBL2337596)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-6-8-16(9-7-15)20-17(14-10-11-19-12-14)13-4-2-1-3-5-13/h1-9,14,17,19H,10-12H2/t14-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490625
(CHEMBL2338034)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClFNO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490600
(CHEMBL2337602)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-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490611
(CHEMBL2337604)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490606
(CHEMBL2338039)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 |r| Show InChI InChI=1S/C18H20ClNO/c1-13-11-16(19)7-8-17(13)21-18(15-9-10-20-12-15)14-5-3-2-4-6-14/h2-8,11,15,18,20H,9-10,12H2,1H3/t15-,18-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490635
(CHEMBL2337593)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490601
(CHEMBL2337592)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490631
(CHEMBL2338050)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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490638
(CHEMBL2338051)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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490590
(CHEMBL2338053)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-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490624
(CHEMBL2338035)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClFNO/c18-15-10-14(19)6-7-16(15)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490620
(CHEMBL2338054)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(C)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C23H23ClN2O/c1-16-13-19(24)14-20(21-9-5-6-11-26-21)22(16)27-23(18-10-12-25-15-18)17-7-3-2-4-8-17/h2-9,11,13-14,18,23,25H,10,12,15H2,1H3/t18-,23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490619
(CHEMBL2338055)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(Cl)cc(Cl)cc1-c1ccccn1)c1ccccc1 |r| Show InChI InChI=1S/C22H20Cl2N2O/c23-17-12-18(20-8-4-5-10-26-20)22(19(24)13-17)27-21(16-9-11-25-14-16)15-6-2-1-3-7-15/h1-8,10,12-13,16,21,25H,9,11,14H2/t16-,21-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490633
(CHEMBL2338033)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(F)cc(F)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490613
(CHEMBL2337598)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H18FNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490607
(CHEMBL2338037)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-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490615
(CHEMBL2337594)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-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490610
(CHEMBL2338031)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(F)cc1F)c1ccccc1 |r| Show InChI InChI=1S/C17H17F2NO/c18-14-6-7-16(15(19)10-14)21-17(13-8-9-20-11-13)12-4-2-1-3-5-12/h1-7,10,13,17,20H,8-9,11H2/t13-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490591
(CHEMBL2337590)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-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490614
(CHEMBL2337597)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c18-15-6-8-16(9-7-15)20-17(14-10-11-19-12-14)13-4-2-1-3-5-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490626
(CHEMBL2337608)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490616
(CHEMBL2337589)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+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490627
(CHEMBL2337607)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H17Cl2NO/c18-14-8-15(19)10-16(9-14)21-17(13-6-7-20-11-13)12-4-2-1-3-5-12/h1-5,8-10,13,17,20H,6-7,11H2/t13-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490629
(CHEMBL2337606)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-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490605
(CHEMBL2338041)Show SMILES [H][C@]1(CCNC1)[C@H](Oc1cc(Cl)cc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-8-14(19)16(20)15(9-13)22-17(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,17,21H,6-7,10H2/t12-,17-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490617
(CHEMBL2337587)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-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490623
(CHEMBL2338040)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1cc(Cl)cc(Cl)c1Cl)c1ccccc1 |r| Show InChI InChI=1S/C17H16Cl3NO/c18-13-8-14(19)16(20)15(9-13)22-17(12-6-7-21-10-12)11-4-2-1-3-5-11/h1-5,8-9,12,17,21H,6-7,10H2/t12-,17-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490634
(CHEMBL2337588)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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM50490598
(CHEMBL2338038)Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(cc1OC)[N+]([O-])=O)c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O4/c1-23-17-11-15(20(21)22)7-8-16(17)24-18(14-9-10-19-12-14)13-5-3-2-4-6-13/h2-8,11,14,18-19H,9-10,12H2,1H3/t14-,18-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine transporter
(Homo sapiens (Human)) | BDBM35226
((S,S)-reboxetine | Reboxetine | Vestra)Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
DrugBank PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 dopamine 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 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| <3.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane |
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 serotonin transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank 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 SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT 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)) | 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 | 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 | |