Found 93 hits Enz. Inhib. hit(s) with all data for entry = 50018274 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)) | BDBM50193774
((+)1-(3-((2S,4R)-4-(4-fluorobenzyl)piperidin-2-yl)...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(c1)C(C)=O Show InChI InChI=1S/C26H32FN3O3/c1-17(31)21-14-22(18(2)32)16-25(15-21)30-26(33)29-10-3-4-24-13-20(9-11-28-24)12-19-5-7-23(27)8-6-19/h5-8,14-16,20,24,28H,3-4,9-13H2,1-2H3,(H2,29,30,33)/t20-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193770
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-oxopropyl)pi...)Show SMILES CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O Show InChI InChI=1S/C29H36FN3O4/c1-19(34)18-33-12-10-23(13-22-6-8-26(30)9-7-22)14-28(33)5-4-11-31-29(37)32-27-16-24(20(2)35)15-25(17-27)21(3)36/h6-9,15-17,23,28H,4-5,10-14,18H2,1-3H3,(H2,31,32,37)/t23-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193763
((+)1-(3-((2S,4R)-4-(4-fluorobenzyl)piperidin-2-yl)...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1 Show InChI InChI=1S/C24H30FN3O2/c1-17(29)20-4-2-5-23(16-20)28-24(30)27-12-3-6-22-15-19(11-13-26-22)14-18-7-9-21(25)10-8-18/h2,4-5,7-10,16,19,22,26H,3,6,11-15H2,1H3,(H2,27,28,30)/t19-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193764
((2S,4R)-2-{3-[3-(3,5-diacetyl-phenyl)-ureido]-prop...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(N)=N)cc(c1)C(C)=O Show InChI InChI=1S/C27H34FN5O3/c1-17(34)21-14-22(18(2)35)16-24(15-21)32-27(36)31-10-3-4-25-13-20(9-11-33(25)26(29)30)12-19-5-7-23(28)8-6-19/h5-8,14-16,20,25H,3-4,9-13H2,1-2H3,(H3,29,30)(H2,31,32,36)/t20-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193764
((2S,4R)-2-{3-[3-(3,5-diacetyl-phenyl)-ureido]-prop...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(N)=N)cc(c1)C(C)=O Show InChI InChI=1S/C27H34FN5O3/c1-17(34)21-14-22(18(2)35)16-24(15-21)32-27(36)31-10-3-4-25-13-20(9-11-33(25)26(29)30)12-19-5-7-23(28)8-6-19/h5-8,14-16,20,25H,3-4,9-13H2,1-2H3,(H3,29,30)(H2,31,32,36)/t20-,25-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193768
((+/-)1-(3-acetylphenyl)-3-(3-((2S,4R)-4-benzylpipe...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1 Show InChI InChI=1S/C24H31N3O2/c1-18(28)21-9-5-10-23(17-21)27-24(29)26-13-6-11-22-16-20(12-14-25-22)15-19-7-3-2-4-8-19/h2-5,7-10,17,20,22,25H,6,11-16H2,1H3,(H2,26,27,29)/t20-,22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193762
((+)1-(3-((2S,4R)-4-benzylpiperidin-2-yl)propyl)-3-...)Show SMILES O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H28N4O/c24-17-20-8-4-9-22(16-20)27-23(28)26-12-5-10-21-15-19(11-13-25-21)14-18-6-2-1-3-7-18/h1-4,6-9,16,19,21,25H,5,10-15H2,(H2,26,27,28)/t19-,21-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193762
((+)1-(3-((2S,4R)-4-benzylpiperidin-2-yl)propyl)-3-...)Show SMILES O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H28N4O/c24-17-20-8-4-9-22(16-20)27-23(28)26-12-5-10-21-15-19(11-13-25-21)14-18-6-2-1-3-7-18/h1-4,6-9,16,19,21,25H,5,10-15H2,(H2,26,27,28)/t19-,21-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193762
((+)1-(3-((2S,4R)-4-benzylpiperidin-2-yl)propyl)-3-...)Show SMILES O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H28N4O/c24-17-20-8-4-9-22(16-20)27-23(28)26-12-5-10-21-15-19(11-13-25-21)14-18-6-2-1-3-7-18/h1-4,6-9,16,19,21,25H,5,10-15H2,(H2,26,27,28)/t19-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193762
((+)1-(3-((2S,4R)-4-benzylpiperidin-2-yl)propyl)-3-...)Show SMILES O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H28N4O/c24-17-20-8-4-9-22(16-20)27-23(28)26-12-5-10-21-15-19(11-13-25-21)14-18-6-2-1-3-7-18/h1-4,6-9,16,19,21,25H,5,10-15H2,(H2,26,27,28)/t19-,21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193762
((+)1-(3-((2S,4R)-4-benzylpiperidin-2-yl)propyl)-3-...)Show SMILES O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H28N4O/c24-17-20-8-4-9-22(16-20)27-23(28)26-12-5-10-21-15-19(11-13-25-21)14-18-6-2-1-3-7-18/h1-4,6-9,16,19,21,25H,5,10-15H2,(H2,26,27,28)/t19-,21-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193762
((+)1-(3-((2S,4R)-4-benzylpiperidin-2-yl)propyl)-3-...)Show SMILES O=C(NCCC[C@H]1C[C@H](Cc2ccccc2)CCN1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H28N4O/c24-17-20-8-4-9-22(16-20)27-23(28)26-12-5-10-21-15-19(11-13-25-21)14-18-6-2-1-3-7-18/h1-4,6-9,16,19,21,25H,5,10-15H2,(H2,26,27,28)/t19-,21-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193768
((+/-)1-(3-acetylphenyl)-3-(3-((2S,4R)-4-benzylpipe...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1 Show InChI InChI=1S/C24H31N3O2/c1-18(28)21-9-5-10-23(17-21)27-24(29)26-13-6-11-22-16-20(12-14-25-22)15-19-7-3-2-4-8-19/h2-5,7-10,17,20,22,25H,6,11-16H2,1H3,(H2,26,27,29)/t20-,22-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193760
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-hydroxyethyl...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(c1)C(C)=O Show InChI InChI=1S/C28H36FN3O4/c1-19(34)23-16-24(20(2)35)18-26(17-23)31-28(36)30-10-3-4-27-15-22(9-11-32(27)12-13-33)14-21-5-7-25(29)8-6-21/h5-8,16-18,22,27,33H,3-4,9-15H2,1-2H3,(H2,30,31,36)/t22-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193768
((+/-)1-(3-acetylphenyl)-3-(3-((2S,4R)-4-benzylpipe...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1 Show InChI InChI=1S/C24H31N3O2/c1-18(28)21-9-5-10-23(17-21)27-24(29)26-13-6-11-22-16-20(12-14-25-22)15-19-7-3-2-4-8-19/h2-5,7-10,17,20,22,25H,6,11-16H2,1H3,(H2,26,27,29)/t20-,22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193769
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(c1)C(C)=O Show InChI InChI=1S/C28H35F2N3O3/c1-19(34)23-16-24(20(2)35)18-26(17-23)32-28(36)31-11-3-4-27-15-22(9-12-33(27)13-10-29)14-21-5-7-25(30)8-6-21/h5-8,16-18,22,27H,3-4,9-15H2,1-2H3,(H2,31,32,36)/t22-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193781
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-hydroxyethyl...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)c1 Show InChI InChI=1S/C26H34FN3O3/c1-19(32)22-4-2-5-24(18-22)29-26(33)28-12-3-6-25-17-21(11-13-30(25)14-15-31)16-20-7-9-23(27)10-8-20/h2,4-5,7-10,18,21,25,31H,3,6,11-17H2,1H3,(H2,28,29,33)/t21-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193759
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-allylpiperidin-...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)cc(c1)C(C)=O Show InChI InChI=1S/C29H36FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h4,7-10,17-19,23,28H,1,5-6,11-16H2,2-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193774
((+)1-(3-((2S,4R)-4-(4-fluorobenzyl)piperidin-2-yl)...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(c1)C(C)=O Show InChI InChI=1S/C26H32FN3O3/c1-17(31)21-14-22(18(2)32)16-25(15-21)30-26(33)29-10-3-4-24-13-20(9-11-28-24)12-19-5-7-23(27)8-6-19/h5-8,14-16,20,24,28H,3-4,9-13H2,1-2H3,(H2,29,30,33)/t20-,24-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193779
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-methylpiperidin...)Show SMILES CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O Show InChI InChI=1S/C25H32FN3O2/c1-18(30)21-5-3-6-23(17-21)28-25(31)27-13-4-7-24-16-20(12-14-29(24)2)15-19-8-10-22(26)11-9-19/h3,5-6,8-11,17,20,24H,4,7,12-16H2,1-2H3,(H2,27,28,31)/t20-,24-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193777
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(cyclopropylmet...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1 Show InChI InChI=1S/C28H36FN3O2/c1-20(33)24-4-2-5-26(18-24)31-28(34)30-14-3-6-27-17-23(13-15-32(27)19-22-7-8-22)16-21-9-11-25(29)12-10-21/h2,4-5,9-12,18,22-23,27H,3,6-8,13-17,19H2,1H3,(H2,30,31,34)/t23-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193774
((+)1-(3-((2S,4R)-4-(4-fluorobenzyl)piperidin-2-yl)...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)cc(c1)C(C)=O Show InChI InChI=1S/C26H32FN3O3/c1-17(31)21-14-22(18(2)32)16-25(15-21)30-26(33)29-10-3-4-24-13-20(9-11-28-24)12-19-5-7-23(27)8-6-19/h5-8,14-16,20,24,28H,3-4,9-13H2,1-2H3,(H2,29,30,33)/t20-,24-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193765
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-propylpiperidin...)Show SMILES CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O Show InChI InChI=1S/C29H38FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h7-10,17-19,23,28H,4-6,11-16H2,1-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193765
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-propylpiperidin...)Show SMILES CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O Show InChI InChI=1S/C29H38FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h7-10,17-19,23,28H,4-6,11-16H2,1-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193775
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(3-hydroxypropy...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(c1)C(C)=O Show InChI InChI=1S/C29H38FN3O4/c1-20(35)24-17-25(21(2)36)19-27(18-24)32-29(37)31-11-3-5-28-16-23(10-13-33(28)12-4-14-34)15-22-6-8-26(30)9-7-22/h6-9,17-19,23,28,34H,3-5,10-16H2,1-2H3,(H2,31,32,37)/t23-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193771
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-allylpiperidin-...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)c1 Show InChI InChI=1S/C27H34FN3O2/c1-3-15-31-16-13-22(17-21-9-11-24(28)12-10-21)18-26(31)8-5-14-29-27(33)30-25-7-4-6-23(19-25)20(2)32/h3-4,6-7,9-12,19,22,26H,1,5,8,13-18H2,2H3,(H2,29,30,33)/t22-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193763
((+)1-(3-((2S,4R)-4-(4-fluorobenzyl)piperidin-2-yl)...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1 Show InChI InChI=1S/C24H30FN3O2/c1-17(29)20-4-2-5-23(16-20)28-24(30)27-12-3-6-22-15-19(11-13-26-22)14-18-7-9-21(25)10-8-18/h2,4-5,7-10,16,19,22,26H,3,6,11-15H2,1H3,(H2,27,28,30)/t19-,22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193776
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-propionylpiperi...)Show SMILES CCC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O Show InChI InChI=1S/C29H36FN3O4/c1-4-28(36)33-13-11-22(14-21-7-9-25(30)10-8-21)15-27(33)6-5-12-31-29(37)32-26-17-23(19(2)34)16-24(18-26)20(3)35/h7-10,16-18,22,27H,4-6,11-15H2,1-3H3,(H2,31,32,37)/t22-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193763
((+)1-(3-((2S,4R)-4-(4-fluorobenzyl)piperidin-2-yl)...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2)c1 Show InChI InChI=1S/C24H30FN3O2/c1-17(29)20-4-2-5-23(16-20)28-24(30)27-12-3-6-22-15-19(11-13-26-22)14-18-7-9-21(25)10-8-18/h2,4-5,7-10,16,19,22,26H,3,6,11-15H2,1H3,(H2,27,28,30)/t19-,22-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 233 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193777
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(cyclopropylmet...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC2CC2)c1 Show InChI InChI=1S/C28H36FN3O2/c1-20(33)24-4-2-5-26(18-24)31-28(34)30-14-3-6-27-17-23(13-15-32(27)19-22-7-8-22)16-21-9-11-25(29)12-10-21/h2,4-5,9-12,18,22-23,27H,3,6-8,13-17,19H2,1H3,(H2,30,31,34)/t23-,27-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193779
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-methylpiperidin...)Show SMILES CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O Show InChI InChI=1S/C25H32FN3O2/c1-18(30)21-5-3-6-23(17-21)28-25(31)27-13-4-7-24-16-20(12-14-29(24)2)15-19-8-10-22(26)11-9-19/h3,5-6,8-11,17,20,24H,4,7,12-16H2,1-2H3,(H2,27,28,31)/t20-,24-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 257 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193767
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-propylpiperidin...)Show SMILES CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O Show InChI InChI=1S/C27H36FN3O2/c1-3-15-31-16-13-22(17-21-9-11-24(28)12-10-21)18-26(31)8-5-14-29-27(33)30-25-7-4-6-23(19-25)20(2)32/h4,6-7,9-12,19,22,26H,3,5,8,13-18H2,1-2H3,(H2,29,30,33)/t22-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 296 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193759
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-allylpiperidin-...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)cc(c1)C(C)=O Show InChI InChI=1S/C29H36FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h4,7-10,17-19,23,28H,1,5-6,11-16H2,2-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 297 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193758
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(prop-2-ynyl)pi...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC#C)cc(c1)C(C)=O Show InChI InChI=1S/C29H34FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h1,7-10,17-19,23,28H,5-6,11-16H2,2-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 305 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193769
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(c1)C(C)=O Show InChI InChI=1S/C28H35F2N3O3/c1-19(34)23-16-24(20(2)35)18-26(17-23)32-28(36)31-11-3-4-27-15-22(9-12-33(27)13-10-29)14-21-5-7-25(30)8-6-21/h5-8,16-18,22,27H,3-4,9-15H2,1-2H3,(H2,31,32,36)/t22-,27-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 317 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193773
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2,2-difluoroet...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(F)F)cc(c1)C(C)=O Show InChI InChI=1S/C28H34F3N3O3/c1-18(35)22-14-23(19(2)36)16-25(15-22)33-28(37)32-10-3-4-26-13-21(9-11-34(26)17-27(30)31)12-20-5-7-24(29)8-6-20/h5-8,14-16,21,26-27H,3-4,9-13,17H2,1-2H3,(H2,32,33,37)/t21-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 328 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193770
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-oxopropyl)pi...)Show SMILES CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O Show InChI InChI=1S/C29H36FN3O4/c1-19(34)18-33-12-10-23(13-22-6-8-26(30)9-7-22)14-28(33)5-4-11-31-29(37)32-27-16-24(20(2)35)15-25(17-27)21(3)36/h6-9,15-17,23,28H,4-5,10-14,18H2,1-3H3,(H2,31,32,37)/t23-,28-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 381 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193764
((2S,4R)-2-{3-[3-(3,5-diacetyl-phenyl)-ureido]-prop...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(N)=N)cc(c1)C(C)=O Show InChI InChI=1S/C27H34FN5O3/c1-17(34)21-14-22(18(2)35)16-24(15-21)32-27(36)31-10-3-4-25-13-20(9-11-33(25)26(29)30)12-19-5-7-23(28)8-6-19/h5-8,14-16,20,25H,3-4,9-13H2,1-2H3,(H3,29,30)(H2,31,32,36)/t20-,25-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 388 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193760
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-hydroxyethyl...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCO)cc(c1)C(C)=O Show InChI InChI=1S/C28H36FN3O4/c1-19(34)23-16-24(20(2)35)18-26(17-23)31-28(36)30-10-3-4-27-15-22(9-11-32(27)12-13-33)14-21-5-7-25(29)8-6-21/h5-8,16-18,22,27,33H,3-4,9-15H2,1-2H3,(H2,30,31,36)/t22-,27-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 451 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193775
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(3-hydroxypropy...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(c1)C(C)=O Show InChI InChI=1S/C29H38FN3O4/c1-20(35)24-17-25(21(2)36)19-27(18-24)32-29(37)31-11-3-5-28-16-23(10-13-33(28)12-4-14-34)15-22-6-8-26(30)9-7-22/h6-9,17-19,23,28,34H,3-5,10-16H2,1-2H3,(H2,31,32,37)/t23-,28-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 497 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193758
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(prop-2-ynyl)pi...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC#C)cc(c1)C(C)=O Show InChI InChI=1S/C29H34FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h1,7-10,17-19,23,28H,5-6,11-16H2,2-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 524 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193779
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-methylpiperidin...)Show SMILES CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O Show InChI InChI=1S/C25H32FN3O2/c1-18(30)21-5-3-6-23(17-21)28-25(31)27-13-4-7-24-16-20(12-14-29(24)2)15-19-8-10-22(26)11-9-19/h3,5-6,8-11,17,20,24H,4,7,12-16H2,1-2H3,(H2,27,28,31)/t20-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 572 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193775
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(3-hydroxypropy...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCCO)cc(c1)C(C)=O Show InChI InChI=1S/C29H38FN3O4/c1-20(35)24-17-25(21(2)36)19-27(18-24)32-29(37)31-11-3-5-28-16-23(10-13-33(28)12-4-14-34)15-22-6-8-26(30)9-7-22/h6-9,17-19,23,28,34H,3-5,10-16H2,1-2H3,(H2,31,32,37)/t23-,28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 609 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193758
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(prop-2-ynyl)pi...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC#C)cc(c1)C(C)=O Show InChI InChI=1S/C29H34FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h1,7-10,17-19,23,28H,5-6,11-16H2,2-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 621 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193769
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-fluoroethyl)...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CCF)cc(c1)C(C)=O Show InChI InChI=1S/C28H35F2N3O3/c1-19(34)23-16-24(20(2)35)18-26(17-23)32-28(36)31-11-3-4-27-15-22(9-12-33(27)13-10-29)14-21-5-7-25(30)8-6-21/h5-8,16-18,22,27H,3-4,9-15H2,1-2H3,(H2,31,32,36)/t22-,27-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 651 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50193772
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-amino-2-oxoe...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC(N)=O)cc(c1)C(C)=O Show InChI InChI=1S/C28H35FN4O4/c1-18(34)22-14-23(19(2)35)16-25(15-22)32-28(37)31-10-3-4-26-13-21(9-11-33(26)17-27(30)36)12-20-5-7-24(29)8-6-20/h5-8,14-16,21,26H,3-4,9-13,17H2,1-2H3,(H2,30,36)(H2,31,32,37)/t21-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of 5HTT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193770
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-(2-oxopropyl)pi...)Show SMILES CC(=O)CN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(cc(c1)C(C)=O)C(C)=O Show InChI InChI=1S/C29H36FN3O4/c1-19(34)18-33-12-10-23(13-22-6-8-26(30)9-7-22)14-28(33)5-4-11-31-29(37)32-27-16-24(20(2)35)15-25(17-27)21(3)36/h6-9,15-17,23,28H,4-5,10-14,18H2,1-3H3,(H2,31,32,37)/t23-,28-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 754 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193767
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-propylpiperidin...)Show SMILES CCCN1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cccc(c1)C(C)=O Show InChI InChI=1S/C27H36FN3O2/c1-3-15-31-16-13-22(17-21-9-11-24(28)12-10-21)18-26(31)8-5-14-29-27(33)30-25-7-4-6-23(19-25)20(2)32/h4,6-7,9-12,19,22,26H,3,5,8,13-18H2,1-2H3,(H2,29,30,33)/t22-,26-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 756 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50193771
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-allylpiperidin-...)Show SMILES CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)c1 Show InChI InChI=1S/C27H34FN3O2/c1-3-15-31-16-13-22(17-21-9-11-24(28)12-10-21)18-26(31)8-5-14-29-27(33)30-25-7-4-6-23(19-25)20(2)32/h3-4,6-7,9-12,19,22,26H,1,5,8,13-18H2,2H3,(H2,29,30,33)/t22-,26-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 855 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50193759
(1-(3-((2S,4R)-4-(4-fluorobenzyl)-1-allylpiperidin-...)Show SMILES CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2CC=C)cc(c1)C(C)=O Show InChI InChI=1S/C29H36FN3O3/c1-4-13-33-14-11-23(15-22-7-9-26(30)10-8-22)16-28(33)6-5-12-31-29(36)32-27-18-24(20(2)34)17-25(19-27)21(3)35/h4,7-10,17-19,23,28H,1,5-6,11-16H2,2-3H3,(H2,31,32,36)/t23-,28-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 876 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 16: 5695-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.012 BindingDB Entry DOI: 10.7270/Q29K49VQ |
More data for this Ligand-Target Pair | |