Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50012401 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)) | BDBM50118598
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-15,24,29H,16-22H2/b7-4+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118600
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118601
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-f...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NO2/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)32-20-15-21-13-17-30(18-14-21)16-1-3-26-4-2-19-31-26/h1-12,19,21,27H,13-18,20H2/b3-1+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118606
(1-(benzofuran-2-ylmethyl)-4-(2-(bis(4-fluorophenyl...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO2/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50049363
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H33F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,4,7,16-22H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118605
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-t...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NOS/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)31-19-15-21-13-17-30(18-14-21)16-1-3-26-4-2-20-32-26/h1-12,20-21,27H,13-19H2/b3-1+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118604
(1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NOS/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopmine transporter(DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118603
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118602
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-28-12-8-25(9-13-28)31(26-10-14-29(33)15-11-26)35-21-18-23-16-19-34(20-17-23)22-27-6-3-5-24-4-1-2-7-30(24)27/h1-15,23,31H,16-22H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118601
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-f...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccco2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NO2/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)32-20-15-21-13-17-30(18-14-21)16-1-3-26-4-2-19-31-26/h1-12,19,21,27H,13-18,20H2/b3-1+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118605
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-t...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H29F2NOS/c28-24-9-5-22(6-10-24)27(23-7-11-25(29)12-8-23)31-19-15-21-13-17-30(18-14-21)16-1-3-26-4-2-20-32-26/h1-12,20-21,27H,13-19H2/b3-1+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118598
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H31F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-15,24,29H,16-22H2/b7-4+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50049363
(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-p...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H33F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,4,7,16-22H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118606
(1-(benzofuran-2-ylmethyl)-4-(2-(bis(4-fluorophenyl...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3o2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO2/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118600
(2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperid...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H30F2N2O/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)34-18-15-21-13-16-33(17-14-21)20-27-19-24-3-1-2-4-28(24)32-27/h1-12,19,21,29,32H,13-18,20H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | PDB
KEGG
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| Purchase
CHEMBL
MCE
PC cid
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UniChem
Patents
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| PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118603
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 164 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118604
(1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NOS/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | PDB
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| 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118602
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cccc3ccccc23)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-28-12-8-25(9-13-28)31(26-10-14-29(33)15-11-26)35-21-18-23-16-19-34(20-17-23)22-27-6-3-5-24-4-1-2-7-30(24)27/h1-15,23,31H,16-22H2 | PDB
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| CHEMBL
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UniChem
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| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | NCI pathway
Reactome pathway
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CHEMBL
MCE
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
The inhibition of reuptake of the compound against dopamine transporter |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | NCI pathway
Reactome pathway
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| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of dopamine (DA) reuptake |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50118604
(1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NOS/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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Similars
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| n/a | n/a | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of dopamine (DA) reuptake |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | PDB
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CHEMBL
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
The inhibition of reuptake of the compound against Serotonin transporter (5-HT) |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of norepinephrine (NE) reuptake |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | Reactome pathway
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of norepinephrine (NE) reuptake |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50118604
(1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NOS/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of norepinephrine (NE) reuptake |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118599
(4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(naphtha...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H31F2NO/c32-29-11-7-26(8-12-29)31(27-9-13-30(33)14-10-27)35-20-17-23-15-18-34(19-16-23)22-24-5-6-25-3-1-2-4-28(25)21-24/h1-14,21,23,31H,15-20,22H2 | PDB
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| n/a | n/a | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of serotonin (5-HT) reuptake |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50118604
(1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...)Show SMILES Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NOS/c30-25-9-5-22(6-10-25)29(23-7-11-26(31)12-8-23)33-18-15-21-13-16-32(17-14-21)20-27-19-24-3-1-2-4-28(24)34-27/h1-12,19,21,29H,13-18,20H2 | PDB
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| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of serotonin (5-HT) reuptake |
J Med Chem 45: 4371-4 (2002)
BindingDB Entry DOI: 10.7270/Q2RF5TCP |
More data for this
Ligand-Target Pair | |
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