Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50017986 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)) | BDBM50189573
(3-(4-iodo-phenyl)-5-methylene-7-aza-tricyclo[5.3.0...)Show SMILES Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18IN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0900 | 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]citalopram from human SERT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50189572
(3-(4-bromo-phenyl)-5-methylene-7-aza-tricyclo[5.3....)Show SMILES Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18BrN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | 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]citalopram from human SERT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50189574
(3-(4-chloro-phenyl)-5-methylene-7-aza-tricyclo[5.3...)Show SMILES Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18ClN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.820 | 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]citalopram from human SERT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189571
(CHEMBL383873 | [3-(4-bromo-phenyl)-7-aza-tricyclo[...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.94 | 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]RTI-55 from human DAT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189572
(3-(4-bromo-phenyl)-5-methylene-7-aza-tricyclo[5.3....)Show SMILES Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18BrN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.94 | 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 transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189569
(CHEMBL215236 | [3-(4-chloro-phenyl)-7-aza-tricyclo...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Cl)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C18H20ClNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.54 | 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]RTI-55 from human DAT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189574
(3-(4-chloro-phenyl)-5-methylene-7-aza-tricyclo[5.3...)Show SMILES Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18ClN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.84 | 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 transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50189571
(CHEMBL383873 | [3-(4-bromo-phenyl)-7-aza-tricyclo[...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8- | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.63 | 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]citalopram from human SERT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189573
(3-(4-iodo-phenyl)-5-methylene-7-aza-tricyclo[5.3.0...)Show SMILES Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18IN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.87 | 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 transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50189570
(5-methylene-3-p-tolyl-7-aza-tricyclo[5.3.0.0*4,8*]...)Show SMILES Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.77 | 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]citalopram from human SERT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189573
(3-(4-iodo-phenyl)-5-methylene-7-aza-tricyclo[5.3.0...)Show SMILES Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18IN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.48 | 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]RTI-55 from human DAT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189574
(3-(4-chloro-phenyl)-5-methylene-7-aza-tricyclo[5.3...)Show SMILES Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18ClN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.3 | 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 [125I]RTI-55 from human DAT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189571
(CHEMBL383873 | [3-(4-bromo-phenyl)-7-aza-tricyclo[...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8- | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.5 | 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]nisoxetine from human NET transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189569
(CHEMBL215236 | [3-(4-chloro-phenyl)-7-aza-tricyclo...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Cl)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C18H20ClNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8- | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.0 | 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 transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189568
(CHEMBL216015 | [3-p-tolyl-7-aza-tricyclo[5.3.0.0*4...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(C)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C19H23NO2/c1-12-3-5-13(6-4-12)16-10-15-7-8-17-19(16)14(11-20(15)17)9-18(21)22-2/h3-6,9,15-17,19H,7-8,10-11H2,1-2H3/b14-9- | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13.3 | 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 [125I]RTI-55 from human DAT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189570
(5-methylene-3-p-tolyl-7-aza-tricyclo[5.3.0.0*4,8*]...)Show SMILES Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17.3 | 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 transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50189569
(CHEMBL215236 | [3-(4-chloro-phenyl)-7-aza-tricyclo...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Cl)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C18H20ClNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8- | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18.8 | 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]citalopram from human SERT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189568
(CHEMBL216015 | [3-p-tolyl-7-aza-tricyclo[5.3.0.0*4...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(C)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C19H23NO2/c1-12-3-5-13(6-4-12)16-10-15-7-8-17-19(16)14(11-20(15)17)9-18(21)22-2/h3-6,9,15-17,19H,7-8,10-11H2,1-2H3/b14-9- | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25.5 | 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]nisoxetine from human NET transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189570
(5-methylene-3-p-tolyl-7-aza-tricyclo[5.3.0.0*4,8*]...)Show SMILES Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 41.0 | 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]RTI-55 from human DAT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50189572
(3-(4-bromo-phenyl)-5-methylene-7-aza-tricyclo[5.3....)Show SMILES Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C16H18BrN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41.9 | 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]RTI-55 from human DAT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50189568
(CHEMBL216015 | [3-p-tolyl-7-aza-tricyclo[5.3.0.0*4...)Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(C)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14| Show InChI InChI=1S/C19H23NO2/c1-12-3-5-13(6-4-12)16-10-15-7-8-17-19(16)14(11-20(15)17)9-18(21)22-2/h3-6,9,15-17,19H,7-8,10-11H2,1-2H3/b14-9- | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 98.3 | 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]citalopram from human SERT transfected in HEK293 cells |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50189570
(5-methylene-3-p-tolyl-7-aza-tricyclo[5.3.0.0*4,8*]...)Show SMILES Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10| Show InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Inhibition of (-)-[3H]NE uptake at NET |
Bioorg Med Chem Lett 16: 4661-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93 |
More data for this
Ligand-Target Pair | |
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