Found 57 hits of Enzyme Inhibition Constant Data 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
(Rattus norvegicus (rat)) | BDBM50062762
(CHEMBL3397792)Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r| Show InChI InChI=1S/C27H27NO2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)28-18-20-11-13-25-23(17-20)15-16-29-25/h1-11,13,15-17,24,26-28H,12,14,18-19H2/t24-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062765
(CHEMBL3397793)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO3/c29-24-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-23(24)28-17-19-11-12-25-22(15-19)13-14-30-25/h1-15,23-24,26-29H,16-18H2/t23-,24-,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062769
(CHEMBL3397803)Show SMILES COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-24-12-16(2-11-22(24)30)14-29-21-15-33-25(13-23(21)31)26(17-3-7-19(27)8-4-17)18-5-9-20(28)10-6-18/h2-12,21,23,25-26,29-31H,13-15H2,1H3/t21-,23-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062752
(CHEMBL3397805)Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-22-11-16(10-21(30)12-22)14-29-23-15-33-25(13-24(23)31)26(17-2-6-19(27)7-3-17)18-4-8-20(28)9-5-18/h2-12,23-26,29-31H,13-15H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062755
(CHEMBL3397798)Show SMILES COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-29-22-14-8-9-19(15-22)17-27-23-18-30-25(16-24(23)28)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062760
(CHEMBL3397809)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)c(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H24F3NO3/c26-18-6-2-16(3-7-18)25(17-4-8-19(27)9-5-17)24-12-23(31)21(14-32-24)29-13-15-1-10-22(30)20(28)11-15/h1-11,21,23-25,29-31H,12-14H2/t21-,23-,24+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062769
(CHEMBL3397803)Show SMILES COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-24-12-16(2-11-22(24)30)14-29-21-15-33-25(13-23(21)31)26(17-3-7-19(27)8-4-17)18-5-9-20(28)10-6-18/h2-12,21,23,25-26,29-31H,13-15H2,1H3/t21-,23-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062764
(CHEMBL3397800)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1F |r| Show InChI InChI=1S/C26H28FNO3/c1-30-24-13-12-18(14-21(24)27)16-28-22-17-31-25(15-23(22)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,22-23,25-26,28-29H,15-17H2,1H3/t22-,23-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062766
(CHEMBL3397801)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C26H28FNO3/c1-30-21-13-12-20(22(27)14-21)16-28-23-17-31-25(15-24(23)29)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,23-26,28-29H,15-17H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062753
(CHEMBL3397806)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCOc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO4/c27-19-6-2-17(3-7-19)26(18-4-8-20(28)9-5-18)25-12-22(30)21(14-31-25)29-13-16-1-10-23-24(11-16)33-15-32-23/h1-11,21-22,25-26,29-30H,12-15H2/t21-,22-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062760
(CHEMBL3397809)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)c(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H24F3NO3/c26-18-6-2-16(3-7-18)25(17-4-8-19(27)9-5-17)24-12-23(31)21(14-32-24)29-13-15-1-10-22(30)20(28)11-15/h1-11,21,23-25,29-31H,12-14H2/t21-,23-,24+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062761
(CHEMBL3397810)Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H25F2NO2/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-11-22(16-30-24)28-15-17-1-12-23(29)13-2-17/h1-10,12-13,22,24-25,28-29H,11,14-16H2/t22-,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062770
(CHEMBL3397804)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCCc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27F2NO3/c28-21-6-2-18(3-7-21)27(19-4-8-22(29)9-5-19)26-14-24(31)23(16-33-26)30-15-17-1-10-25-20(13-17)11-12-32-25/h1-10,13,23-24,26-27,30-31H,11-12,14-16H2/t23-,24-,26+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062759
(CHEMBL3397808)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r| Show InChI InChI=1S/C25H26F2N2O3/c1-31-24-11-2-16(14-29-24)13-28-21-15-32-23(12-22(21)30)25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h2-11,14,21-23,25,28,30H,12-13,15H2,1H3/t21-,22-,23+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062762
(CHEMBL3397792)Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r| Show InChI InChI=1S/C27H27NO2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)28-18-20-11-13-25-23(17-20)15-16-29-25/h1-11,13,15-17,24,26-28H,12,14,18-19H2/t24-,26-/m0/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062770
(CHEMBL3397804)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCCc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27F2NO3/c28-21-6-2-18(3-7-21)27(19-4-8-22(29)9-5-19)26-14-24(31)23(16-33-26)30-15-17-1-10-25-20(13-17)11-12-32-25/h1-10,13,23-24,26-27,30-31H,11-12,14-16H2/t23-,24-,26+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062752
(CHEMBL3397805)Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-22-11-16(10-21(30)12-22)14-29-23-15-33-25(13-24(23)31)26(17-2-6-19(27)7-3-17)18-4-8-20(28)9-5-18/h2-12,23-26,29-31H,13-15H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062768
(CHEMBL3397802)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H25F2NO3/c28-21-6-2-18(3-7-21)27(19-4-8-22(29)9-5-19)26-14-24(31)23(16-33-26)30-15-17-1-10-25-20(13-17)11-12-32-25/h1-13,23-24,26-27,30-31H,14-16H2/t23-,24-,26+/m1/s1 | Reactome pathway
KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062755
(CHEMBL3397798)Show SMILES COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-29-22-14-8-9-19(15-22)17-27-23-18-30-25(16-24(23)28)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062759
(CHEMBL3397808)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r| Show InChI InChI=1S/C25H26F2N2O3/c1-31-24-11-2-16(14-29-24)13-28-21-15-32-23(12-22(21)30)25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h2-11,14,21-23,25,28,30H,12-13,15H2,1H3/t21-,22-,23+/m1/s1 | Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062768
(CHEMBL3397802)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H25F2NO3/c28-21-6-2-18(3-7-21)27(19-4-8-22(29)9-5-19)26-14-24(31)23(16-33-26)30-15-17-1-10-25-20(13-17)11-12-32-25/h1-13,23-24,26-27,30-31H,14-16H2/t23-,24-,26+/m1/s1 | Reactome pathway
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UniChem
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062761
(CHEMBL3397810)Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H25F2NO2/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-11-22(16-30-24)28-15-17-1-12-23(29)13-2-17/h1-10,12-13,22,24-25,28-29H,11,14-16H2/t22-,24-/m0/s1 | Reactome pathway
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062763
(CHEMBL3397807)Show SMILES COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO3/c1-31-22-4-2-3-17(13-22)15-29-23-16-32-25(14-24(23)30)26(18-5-9-20(27)10-6-18)19-7-11-21(28)12-8-19/h2-13,23-26,29-30H,14-16H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
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PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062757
(CHEMBL3397795)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-13-12-18(14-23(24)29)16-27-21-17-31-25(15-22(21)28)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21-22,25-29H,15-17H2,1H3/t21-,22-,25+/m1/s1 | Reactome pathway
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PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062767
(CHEMBL3397794)Show SMILES COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)ccc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-14-18(12-13-22(24)28)16-27-21-17-31-25(15-23(21)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21,23,25-29H,15-17H2,1H3/t21-,23-,25+/m1/s1 | Reactome pathway
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PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062765
(CHEMBL3397793)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO3/c29-24-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-23(24)28-17-19-11-12-25-22(15-19)13-14-30-25/h1-15,23-24,26-29H,16-18H2/t23-,24-,26+/m1/s1 | Reactome pathway
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PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062753
(CHEMBL3397806)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCOc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO4/c27-19-6-2-17(3-7-19)26(18-4-8-20(28)9-5-18)25-12-22(30)21(14-31-25)29-13-16-1-10-23-24(11-16)33-15-32-23/h1-11,21-22,25-26,29-30H,12-15H2/t21-,22-,25+/m1/s1 | Reactome pathway
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PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062756
(CHEMBL3397799)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cn1 |r| Show InChI InChI=1S/C25H28N2O3/c1-29-24-13-12-18(16-27-24)15-26-21-17-30-23(14-22(21)28)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,21-23,25-26,28H,14-15,17H2,1H3/t21-,22-,23+/m1/s1 | Reactome pathway
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PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062764
(CHEMBL3397800)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1F |r| Show InChI InChI=1S/C26H28FNO3/c1-30-24-13-12-18(14-21(24)27)16-28-22-17-31-25(15-23(22)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,22-23,25-26,28-29H,15-17H2,1H3/t22-,23-,25+/m1/s1 | Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062756
(CHEMBL3397799)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cn1 |r| Show InChI InChI=1S/C25H28N2O3/c1-29-24-13-12-18(16-27-24)15-26-21-17-30-23(14-22(21)28)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,21-23,25-26,28H,14-15,17H2,1H3/t21-,22-,23+/m1/s1 | PDB
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PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062756
(CHEMBL3397799)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cn1 |r| Show InChI InChI=1S/C25H28N2O3/c1-29-24-13-12-18(16-27-24)15-26-21-17-30-23(14-22(21)28)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,16,21-23,25-26,28H,14-15,17H2,1H3/t21-,22-,23+/m1/s1 | Reactome pathway
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PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062758
(CHEMBL3397796)Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29NO4/c1-30-22-13-18(12-21(28)14-22)16-27-23-17-31-25(15-24(23)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,23-29H,15-17H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062764
(CHEMBL3397800)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1F |r| Show InChI InChI=1S/C26H28FNO3/c1-30-24-13-12-18(14-21(24)27)16-28-22-17-31-25(15-23(22)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,22-23,25-26,28-29H,15-17H2,1H3/t22-,23-,25+/m1/s1 | Reactome pathway
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PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062766
(CHEMBL3397801)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C26H28FNO3/c1-30-21-13-12-20(22(27)14-21)16-28-23-17-31-25(15-24(23)29)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,23-26,28-29H,15-17H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062770
(CHEMBL3397804)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCCc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27F2NO3/c28-21-6-2-18(3-7-21)27(19-4-8-22(29)9-5-19)26-14-24(31)23(16-33-26)30-15-17-1-10-25-20(13-17)11-12-32-25/h1-10,13,23-24,26-27,30-31H,11-12,14-16H2/t23-,24-,26+/m1/s1 | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062763
(CHEMBL3397807)Show SMILES COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO3/c1-31-22-4-2-3-17(13-22)15-29-23-16-32-25(14-24(23)30)26(18-5-9-20(27)10-6-18)19-7-11-21(28)12-8-19/h2-13,23-26,29-30H,14-16H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062757
(CHEMBL3397795)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-13-12-18(14-23(24)29)16-27-21-17-31-25(15-22(21)28)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21-22,25-29H,15-17H2,1H3/t21-,22-,25+/m1/s1 | Reactome pathway
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062766
(CHEMBL3397801)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c(F)c1 |r| Show InChI InChI=1S/C26H28FNO3/c1-30-21-13-12-20(22(27)14-21)16-28-23-17-31-25(15-24(23)29)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,23-26,28-29H,15-17H2,1H3/t23-,24-,25+/m1/s1 | PDB
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| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062768
(CHEMBL3397802)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H25F2NO3/c28-21-6-2-18(3-7-21)27(19-4-8-22(29)9-5-19)26-14-24(31)23(16-33-26)30-15-17-1-10-25-20(13-17)11-12-32-25/h1-13,23-24,26-27,30-31H,14-16H2/t23-,24-,26+/m1/s1 | PDB
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PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062762
(CHEMBL3397792)Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r| Show InChI InChI=1S/C27H27NO2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)28-18-20-11-13-25-23(17-20)15-16-29-25/h1-11,13,15-17,24,26-28H,12,14,18-19H2/t24-,26-/m0/s1 | Reactome pathway
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PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062769
(CHEMBL3397803)Show SMILES COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-24-12-16(2-11-22(24)30)14-29-21-15-33-25(13-23(21)31)26(17-3-7-19(27)8-4-17)18-5-9-20(28)10-6-18/h2-12,21,23,25-26,29-31H,13-15H2,1H3/t21-,23-,25+/m1/s1 | PDB
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PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062763
(CHEMBL3397807)Show SMILES COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO3/c1-31-22-4-2-3-17(13-22)15-29-23-16-32-25(14-24(23)30)26(18-5-9-20(27)10-6-18)19-7-11-21(28)12-8-19/h2-13,23-26,29-30H,14-16H2,1H3/t23-,24-,25+/m1/s1 | PDB
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PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus) | BDBM50062754
(CHEMBL3397797)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1cc(O)cc(O)c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO4/c27-20-11-17(12-21(28)13-20)15-26-22-16-30-24(14-23(22)29)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22-29H,14-16H2/t22-,23-,24+/m1/s1 | Reactome pathway
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PubMed
| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062767
(CHEMBL3397794)Show SMILES COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)ccc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-14-18(12-13-22(24)28)16-27-21-17-31-25(15-23(21)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21,23,25-29H,15-17H2,1H3/t21-,23-,25+/m1/s1 | Reactome pathway
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PubMed
| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062758
(CHEMBL3397796)Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29NO4/c1-30-22-13-18(12-21(28)14-22)16-27-23-17-31-25(15-24(23)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,23-29H,15-17H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
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PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062767
(CHEMBL3397794)Show SMILES COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)ccc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-14-18(12-13-22(24)28)16-27-21-17-31-25(15-23(21)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21,23,25-29H,15-17H2,1H3/t21-,23-,25+/m1/s1 | PDB
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| 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062765
(CHEMBL3397793)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO3/c29-24-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-23(24)28-17-19-11-12-25-22(15-19)13-14-30-25/h1-15,23-24,26-29H,16-18H2/t23-,24-,26+/m1/s1 | Reactome pathway
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PubMed
| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062759
(CHEMBL3397808)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r| Show InChI InChI=1S/C25H26F2N2O3/c1-31-24-11-2-16(14-29-24)13-28-21-15-32-23(12-22(21)30)25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h2-11,14,21-23,25,28,30H,12-13,15H2,1H3/t21-,22-,23+/m1/s1 | PDB
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PubMed
| 258 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062754
(CHEMBL3397797)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1cc(O)cc(O)c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO4/c27-20-11-17(12-21(28)13-20)15-26-22-16-30-24(14-23(22)29)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22-29H,14-16H2/t22-,23-,24+/m1/s1 | Reactome pathway
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| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062757
(CHEMBL3397795)Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r| Show InChI InChI=1S/C26H29NO4/c1-30-24-13-12-18(14-23(24)29)16-27-21-17-31-25(15-22(21)28)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,21-22,25-29H,15-17H2,1H3/t21-,22-,25+/m1/s1 | PDB
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| 281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062761
(CHEMBL3397810)Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C25H25F2NO2/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-11-22(16-30-24)28-15-17-1-12-23(29)13-2-17/h1-10,12-13,22,24-25,28-29H,11,14-16H2/t22-,24-/m0/s1 | PDB
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| 334 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062760
(CHEMBL3397809)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)c(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H24F3NO3/c26-18-6-2-16(3-7-18)25(17-4-8-19(27)9-5-17)24-12-23(31)21(14-32-24)29-13-15-1-10-22(30)20(28)11-15/h1-11,21,23-25,29-31H,12-14H2/t21-,23-,24+/m1/s1 | PDB
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| 334 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50062755
(CHEMBL3397798)Show SMILES COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-29-22-14-8-9-19(15-22)17-27-23-18-30-25(16-24(23)28)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1 | Reactome pathway
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| 376 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062758
(CHEMBL3397796)Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r| Show InChI InChI=1S/C26H29NO4/c1-30-22-13-18(12-21(28)14-22)16-27-23-17-31-25(15-24(23)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,23-29H,15-17H2,1H3/t23-,24-,25+/m1/s1 | PDB
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PubMed
| 385 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062753
(CHEMBL3397806)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCOc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO4/c27-19-6-2-17(3-7-19)26(18-4-8-20(28)9-5-18)25-12-22(30)21(14-31-25)29-13-16-1-10-23-24(11-16)33-15-32-23/h1-11,21-22,25-26,29-30H,12-15H2/t21-,22-,25+/m1/s1 | PDB
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062752
(CHEMBL3397805)Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C26H27F2NO4/c1-32-22-11-16(10-21(30)12-22)14-29-23-15-33-25(13-24(23)31)26(17-2-6-19(27)7-3-17)18-4-8-20(28)9-5-18/h2-12,23-26,29-31H,13-15H2,1H3/t23-,24-,25+/m1/s1 | PDB
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PubMed
| 577 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50062754
(CHEMBL3397797)Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1cc(O)cc(O)c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO4/c27-20-11-17(12-21(28)13-20)15-26-22-16-30-24(14-23(22)29)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22-29H,14-16H2/t22-,23-,24+/m1/s1 | PDB
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| 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University
Curated by ChEMBL
| Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT |
Bioorg Med Chem 23: 821-8 (2015)
Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P |
More data for this
Ligand-Target Pair | |
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