Found 201 hits with Last Name = 'subbaiah' and Initial = 'mam' 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 noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459923
![PNG](/data/jpeg/tenK5045/BindingDB_50459923.png) (CHEMBL4228464)Show SMILES [H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50021897
![PNG](/data/jpeg/tenK5002/BindingDB_50021897.png) (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to SERT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50322698
![PNG](/data/jpeg/tenK5032/BindingDB_50322698.png) (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50546436
![PNG](/data/jpeg/tenK5054/BindingDB_50546436.png) (CHEMBL4799793)Show SMILES Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(20.56,-28.4,;21.91,-29.12,;23.23,-28.31,;24.58,-29.05,;24.62,-30.59,;23.31,-31.39,;23.13,-32.92,;24.2,-34.02,;25.73,-33.86,;26.56,-32.56,;28.09,-32.56,;28.56,-31.1,;27.32,-30.2,;27.31,-28.66,;25.98,-27.88,;25.99,-26.34,;27.34,-25.57,;28.67,-26.35,;28.66,-27.9,;27.34,-24.04,;26.01,-23.27,;26.02,-21.74,;24.69,-20.97,;23.36,-21.74,;23.36,-23.28,;24.69,-24.04,;26.07,-31.1,;21.96,-30.66,)| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50014232
![PNG](/data/jpeg/tenK5001/BindingDB_50014232.png) (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to SERT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459923
![PNG](/data/jpeg/tenK5045/BindingDB_50459923.png) (CHEMBL4228464)Show SMILES [H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50546428
![PNG](/data/jpeg/tenK5054/BindingDB_50546428.png) (CHEMBL4778839)Show SMILES Clc1ccc-2c(CCCc3nnc(C4CCN(CC4)c4ccccn4)n-23)c1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459914
![PNG](/data/jpeg/tenK5045/BindingDB_50459914.png) (CHEMBL4227688)Show SMILES [H][C@]12CC[C@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12-,15+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459923
![PNG](/data/jpeg/tenK5045/BindingDB_50459923.png) (CHEMBL4228464)Show SMILES [H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM388637
![PNG](/data/jpeg/tenK38/BindingDB_388637.png) (AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM388637
![PNG](/data/jpeg/tenK38/BindingDB_388637.png) (AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50021897
![PNG](/data/jpeg/tenK5002/BindingDB_50021897.png) (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to DAT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM388637
![PNG](/data/jpeg/tenK38/BindingDB_388637.png) (AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459914
![PNG](/data/jpeg/tenK5045/BindingDB_50459914.png) (CHEMBL4227688)Show SMILES [H][C@]12CC[C@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12-,15+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM388637
![PNG](/data/jpeg/tenK38/BindingDB_388637.png) (AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459924
![PNG](/data/jpeg/tenK5045/BindingDB_50459924.png) (CHEMBL4227100)Show SMILES [H][C@@]12CC[C@@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12-,15+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50005548
![PNG](/data/jpeg/tenK5000/BindingDB_50005548.png) ((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to NET (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50021897
![PNG](/data/jpeg/tenK5002/BindingDB_50021897.png) (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to NET (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459924
![PNG](/data/jpeg/tenK5045/BindingDB_50459924.png) (CHEMBL4227100)Show SMILES [H][C@@]12CC[C@@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12-,15+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459920
![PNG](/data/jpeg/tenK5045/BindingDB_50459920.png) (CHEMBL4227955)Show InChI InChI=1S/C14H17Cl2NO/c15-12-2-1-10(7-13(12)16)11-3-5-17-8-14(11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2/t11-,14+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50014232
![PNG](/data/jpeg/tenK5001/BindingDB_50014232.png) (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to DAT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459914
![PNG](/data/jpeg/tenK5045/BindingDB_50459914.png) (CHEMBL4227688)Show SMILES [H][C@]12CC[C@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12-,15+/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459938
![PNG](/data/jpeg/tenK5045/BindingDB_50459938.png) (CHEMBL4226233)Show SMILES CN(C)C[C@@H]([C@H](O)C1CCCCC1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H29NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h6-8,11-14,17,20-21,23H,3-5,9-10,15H2,1-2H3/t20-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| KEGG PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459925
![PNG](/data/jpeg/tenK5045/BindingDB_50459925.png) (CHEMBL4226867)Show SMILES [H][C@@]12CC[C@@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50322698
![PNG](/data/jpeg/tenK5032/BindingDB_50322698.png) (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459933
![PNG](/data/jpeg/tenK5045/BindingDB_50459933.png) (CHEMBL4226242)Show InChI InChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to NET (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50322698
![PNG](/data/jpeg/tenK5032/BindingDB_50322698.png) (rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459924
![PNG](/data/jpeg/tenK5045/BindingDB_50459924.png) (CHEMBL4227100)Show SMILES [H][C@@]12CC[C@@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459933
![PNG](/data/jpeg/tenK5045/BindingDB_50459933.png) (CHEMBL4226242)Show InChI InChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to SERT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459938
![PNG](/data/jpeg/tenK5045/BindingDB_50459938.png) (CHEMBL4226233)Show SMILES CN(C)C[C@@H]([C@H](O)C1CCCCC1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H29NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h6-8,11-14,17,20-21,23H,3-5,9-10,15H2,1-2H3/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| KEGG PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459933
![PNG](/data/jpeg/tenK5045/BindingDB_50459933.png) (CHEMBL4226242)Show InChI InChI=1S/C16H16Cl2N2/c1-20-8-12(10-5-6-14(17)15(18)7-10)11-3-2-4-16(19)13(11)9-20/h2-7,12H,8-9,19H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to DAT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50612387
![PNG](/data/jpeg/tenK5061/BindingDB_50612387.png) (CHEMBL5283016)Show SMILES Clc1cnc-2n1CCCc1nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n-21 |r,wU:13.13,wD:16.20,(.89,-4.68,;1.29,-3.19,;.26,-2.08,;1.03,-.72,;2.55,-1,;2.74,-2.55,;4.05,-3.36,;5.52,-2.83,;6.02,-1.37,;5.18,-.06,;5.8,1.31,;4.65,2.37,;3.31,1.6,;1.98,2.37,;.65,1.6,;-.69,2.37,;-.69,3.91,;.65,4.68,;1.98,3.91,;-2.02,4.68,;-3.35,3.91,;-4.68,4.68,;-6.02,3.91,;-6.02,2.37,;-4.68,1.6,;-3.35,2.37,;3.65,.11,)| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459921
![PNG](/data/jpeg/tenK5045/BindingDB_50459921.png) (CHEMBL4227753)Show SMILES [H][C@@]12CCCN1C[C@H](c1ccc(cc1)C#C)c1ccccc21 |r| Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2/t19-,20+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to SERT (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50014232
![PNG](/data/jpeg/tenK5001/BindingDB_50014232.png) (6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
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 |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to NET (unknown origin) |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459926
![PNG](/data/jpeg/tenK5045/BindingDB_50459926.png) (CHEMBL4224830)Show InChI InChI=1S/C15H19Cl2NO/c16-13-2-1-11(9-14(13)17)12-3-6-18-10-15(12)4-7-19-8-5-15/h1-2,9,12,18H,3-8,10H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459936
![PNG](/data/jpeg/tenK5045/BindingDB_50459936.png) (CHEMBL4227027)Show SMILES [H][C@@]12CCOC[C@]1([H])[C@@H](CCN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c15-12-2-1-9(7-13(12)16)10-3-5-17-14-4-6-18-8-11(10)14/h1-2,7,10-11,14,17H,3-6,8H2/t10-,11+,14+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50459925
![PNG](/data/jpeg/tenK5045/BindingDB_50459925.png) (CHEMBL4226867)Show SMILES [H][C@@]12CC[C@@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM82071
![PNG](/data/jpeg/tenK8/BindingDB_82071.png) (CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human SERT expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459936
![PNG](/data/jpeg/tenK5045/BindingDB_50459936.png) (CHEMBL4227027)Show SMILES [H][C@@]12CCOC[C@]1([H])[C@@H](CCN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c15-12-2-1-9(7-13(12)16)10-3-5-17-14-4-6-18-8-11(10)14/h1-2,7,10-11,14,17H,3-6,8H2/t10-,11+,14+/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459920
![PNG](/data/jpeg/tenK5045/BindingDB_50459920.png) (CHEMBL4227955)Show InChI InChI=1S/C14H17Cl2NO/c15-12-2-1-10(7-13(12)16)11-3-5-17-8-14(11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2/t11-,14+/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50459936
![PNG](/data/jpeg/tenK5045/BindingDB_50459936.png) (CHEMBL4227027)Show SMILES [H][C@@]12CCOC[C@]1([H])[C@@H](CCN2)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H17Cl2NO/c15-12-2-1-9(7-13(12)16)10-3-5-17-14-4-6-18-8-11(10)14/h1-2,7,10-11,14,17H,3-6,8H2/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human NET |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50036835
![PNG](/data/jpeg/tenK5003/BindingDB_50036835.png) (1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50459938
![PNG](/data/jpeg/tenK5045/BindingDB_50459938.png) (CHEMBL4226233)Show SMILES CN(C)C[C@@H]([C@H](O)C1CCCCC1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H29NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h6-8,11-14,17,20-21,23H,3-5,9-10,15H2,1-2H3/t20-,21-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| KEGG PC cid PC sid UniChem
| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol-Myers Squibb R&D Centre
Curated by ChEMBL
| Assay Description Binding affinity to human DAT expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting |
J Med Chem 61: 2133-2165 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01827 BindingDB Entry DOI: 10.7270/Q2BV7K8M |
More data for this Ligand-Target Pair | |