Found 17 hits with Last Name = 'daniel' and Initial = 'lm' 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)) | BDBM50323773
(CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50323774
(CHEMBL1214059 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50323772
(CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23ClFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302225
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50323774
(CHEMBL1214059 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50323775
(CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50323773
(CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50323771
(CHEMBL1214005 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23F2NO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [125I]RTI55 from human DAT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50323772
(CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23ClFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50323773
(CHEMBL1214007 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Br)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23BrFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50323772
(CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23ClFNO2/c1-24-19(23)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-21/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50323774
(CHEMBL1214059 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23FINO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50323775
(CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50323775
(CHEMBL1214060 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16?,17-,18?,19+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50323771
(CHEMBL1214005 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23F2NO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 357 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50323771
(CHEMBL1214005 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(F)cc1)N2C\C=C\CF |r,TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C19H23F2NO2/c1-24-19(23)18-16(13-4-6-14(21)7-5-13)12-15-8-9-17(18)22(15)11-3-2-10-20/h2-7,15-18H,8-12H2,1H3/b3-2+/t15?,16-,17?,18+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET |
J Med Chem 53: 5549-57 (2010)
Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK |
More data for this Ligand-Target Pair | |