Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50038711 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 serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254791
((R)-Norfluoxetine | CHEMBL446084)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254830
(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 276 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254829
(4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 371 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254829
(4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254791
((R)-Norfluoxetine | CHEMBL446084)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254830
(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 4.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254829
(4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 6.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254830
(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 6.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254791
((R)-Norfluoxetine | CHEMBL446084)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30127
(CHEMBL480988 | phthalazinone, 20)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11| Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30127
(CHEMBL480988 | phthalazinone, 20)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11| Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30126
(CHEMBL313041 | phthalazinone, 19)Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30126
(CHEMBL313041 | phthalazinone, 19)Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM30127
(CHEMBL480988 | phthalazinone, 20)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11| Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM30126
(CHEMBL313041 | phthalazinone, 19)Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM30127
(CHEMBL480988 | phthalazinone, 20)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11| Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of PDE4D2 by rapid fluorescence based assay |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254791
((R)-Norfluoxetine | CHEMBL446084)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254829
(4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50254830
(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of PDE4D2 by rapid fluorescence based assay |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50254830
(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 173 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM30126
(CHEMBL313041 | phthalazinone, 19)Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of PDE4D2 by rapid fluorescence based assay |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50254829
(4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 253 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of PDE4D2 by rapid fluorescence based assay |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 416 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50084717
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 835 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254791
((R)-Norfluoxetine | CHEMBL446084)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254829
(4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254790
((S)-Norfluoxetine | CHEMBL465123 | NORFLUOXETINE)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254829
(4-(3,4-dimethoxyphenyl)-2-(5-((S)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50254830
(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254830
(4-(3,4-dimethoxyphenyl)-2-(5-((R)-3-phenyl-3-(4-(t...)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCNCC[C@@H](Oc2ccc(cc2)C(F)(F)F)c2ccccc2)C(=O)C2CC=CCC12 |r,c:46,t:11| Show InChI InChI=1S/C37H42F3N3O4/c1-45-33-20-15-27(25-34(33)46-2)35-30-13-7-8-14-31(30)36(44)43(42-35)24-10-4-9-22-41-23-21-32(26-11-5-3-6-12-26)47-29-18-16-28(17-19-29)37(38,39)40/h3,5-8,11-12,15-20,25,30-32,41H,4,9-10,13-14,21-24H2,1-2H3/t30?,31?,32-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50254791
((R)-Norfluoxetine | CHEMBL446084)Show InChI InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30127
(CHEMBL480988 | phthalazinone, 20)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11| Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30126
(CHEMBL313041 | phthalazinone, 19)Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30127
(CHEMBL480988 | phthalazinone, 20)Show SMILES COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11| Show InChI InChI=1S/C21H27BrN2O3/c1-26-18-11-10-15(14-19(18)27-2)20-16-8-4-5-9-17(16)21(25)24(23-20)13-7-3-6-12-22/h4-5,10-11,14,16-17H,3,6-9,12-13H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM30126
(CHEMBL313041 | phthalazinone, 19)Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11| Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells |
Bioorg Med Chem 17: 337-43 (2008)
Article DOI: 10.1016/j.bmc.2008.10.065 BindingDB Entry DOI: 10.7270/Q2WQ04Q0 |
More data for this Ligand-Target Pair | |