Found 51 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 noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098412
(CHEMBL3593400)Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098413
(CHEMBL3593399)Show SMILES Cl.CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9/h3-4,7,10,13,17H,5-6,8H2,1-2H3/t10-,13+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098373
(CHEMBL3593395)Show SMILES Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098387
(CHEMBL3593274)Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(9-17)4-1-6-16-7-5-13/h2-3,8,16-17H,1,4-7,9H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098410
(CHEMBL3593402)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C14H18ClFN2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098408
(CHEMBL3593404)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C15H21ClN2O2/c1-10-7-12(3-4-14(10)16)15-13(9-18-11(2)19)8-17-5-6-20-15/h3-4,7,13,15,17H,5-6,8-9H2,1-2H3,(H,18,19)/t13-,15-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098407
(CHEMBL3593405)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(C)c(Cl)c1 |r| Show InChI InChI=1S/C15H21ClN2O2/c1-10-3-4-12(7-14(10)16)15-13(9-18-11(2)19)8-17-5-6-20-15/h3-4,7,13,15,17H,5-6,8-9H2,1-2H3,(H,18,19)/t13-,15-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098376
(CHEMBL3593392)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2/t12-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098372
(CHEMBL3593396)Show SMILES Cl.OC[C@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098411
(CHEMBL3593401)Show SMILES Cl.CC(=O)NCC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O2/c1-10(20)19-5-4-12-9-18-6-7-21-15(12)11-2-3-13(16)14(17)8-11/h2-3,8,12,15,18H,4-7,9H2,1H3,(H,19,20)/t12-,15+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098374
(CHEMBL3593394)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098375
(CHEMBL3593393)Show SMILES Cl.OC[C@@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098375
(CHEMBL3593393)Show SMILES Cl.OC[C@@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098370
(CHEMBL3593398)Show SMILES Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H16Cl2N2O2/c1-16-13(18)9-7-17-4-5-19-12(9)8-2-3-10(14)11(15)6-8/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,18)/t9-,12+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098409
(CHEMBL3593403)Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C14H18ClFN2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-13(16)12(15)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098384
(CHEMBL3593275)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098387
(CHEMBL3593274)Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(9-17)4-1-6-16-7-5-13/h2-3,8,16-17H,1,4-7,9H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098372
(CHEMBL3593396)Show SMILES Cl.OC[C@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098371
(CHEMBL3593397)Show SMILES Cl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H14Cl2N2O2/c13-9-2-1-7(5-10(9)14)11-8(12(15)17)6-16-3-4-18-11/h1-2,5,8,11,16H,3-4,6H2,(H2,15,17)/t8-,11+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098413
(CHEMBL3593399)Show SMILES Cl.CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9/h3-4,7,10,13,17H,5-6,8H2,1-2H3/t10-,13+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098373
(CHEMBL3593395)Show SMILES Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12-/m0/s1 | PDB
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| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098374
(CHEMBL3593394)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12+/m1/s1 | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098412
(CHEMBL3593400)Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098411
(CHEMBL3593401)Show SMILES Cl.CC(=O)NCC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O2/c1-10(20)19-5-4-12-9-18-6-7-21-15(12)11-2-3-13(16)14(17)8-11/h2-3,8,12,15,18H,4-7,9H2,1H3,(H,19,20)/t12-,15+/m1/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098376
(CHEMBL3593392)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2/t12-/m1/s1 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098384
(CHEMBL3593275)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098377
(CHEMBL3593391)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2/t12-/m0/s1 | PDB
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PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098413
(CHEMBL3593399)Show SMILES Cl.CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9/h3-4,7,10,13,17H,5-6,8H2,1-2H3/t10-,13+/m1/s1 | PDB
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| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098408
(CHEMBL3593404)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C15H21ClN2O2/c1-10-7-12(3-4-14(10)16)15-13(9-18-11(2)19)8-17-5-6-20-15/h3-4,7,13,15,17H,5-6,8-9H2,1-2H3,(H,18,19)/t13-,15-/m0/s1 | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098407
(CHEMBL3593405)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(C)c(Cl)c1 |r| Show InChI InChI=1S/C15H21ClN2O2/c1-10-3-4-12(7-14(10)16)15-13(9-18-11(2)19)8-17-5-6-20-15/h3-4,7,13,15,17H,5-6,8-9H2,1-2H3,(H,18,19)/t13-,15-/m0/s1 | PDB
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| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50098377
(CHEMBL3593391)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2/t12-/m0/s1 | Reactome pathway
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098371
(CHEMBL3593397)Show SMILES Cl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H14Cl2N2O2/c13-9-2-1-7(5-10(9)14)11-8(12(15)17)6-16-3-4-18-11/h1-2,5,8,11,16H,3-4,6H2,(H2,15,17)/t8-,11+/m1/s1 | PDB
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| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098408
(CHEMBL3593404)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C15H21ClN2O2/c1-10-7-12(3-4-14(10)16)15-13(9-18-11(2)19)8-17-5-6-20-15/h3-4,7,13,15,17H,5-6,8-9H2,1-2H3,(H,18,19)/t13-,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098409
(CHEMBL3593403)Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C14H18ClFN2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-13(16)12(15)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098387
(CHEMBL3593274)Show InChI InChI=1S/C13H17Cl2NO/c14-11-3-2-10(8-12(11)15)13(9-17)4-1-6-16-7-5-13/h2-3,8,16-17H,1,4-7,9H2 | NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098370
(CHEMBL3593398)Show SMILES Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H16Cl2N2O2/c1-16-13(18)9-7-17-4-5-19-12(9)8-2-3-10(14)11(15)6-8/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,18)/t9-,12+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| CHEMBL
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098407
(CHEMBL3593405)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(C)c(Cl)c1 |r| Show InChI InChI=1S/C15H21ClN2O2/c1-10-3-4-12(7-14(10)16)15-13(9-18-11(2)19)8-17-5-6-20-15/h3-4,7,13,15,17H,5-6,8-9H2,1-2H3,(H,18,19)/t13-,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098374
(CHEMBL3593394)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098370
(CHEMBL3593398)Show SMILES Cl.CNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C13H16Cl2N2O2/c1-16-13(18)9-7-17-4-5-19-12(9)8-2-3-10(14)11(15)6-8/h2-3,6,9,12,17H,4-5,7H2,1H3,(H,16,18)/t9-,12+/m1/s1 | PDB
KEGG
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098410
(CHEMBL3593402)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C14H18ClFN2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098411
(CHEMBL3593401)Show SMILES Cl.CC(=O)NCC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C15H20Cl2N2O2/c1-10(20)19-5-4-12-9-18-6-7-21-15(12)11-2-3-13(16)14(17)8-11/h2-3,8,12,15,18H,4-7,9H2,1H3,(H,19,20)/t12-,15+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098410
(CHEMBL3593402)Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C14H18ClFN2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098375
(CHEMBL3593393)Show SMILES Cl.OC[C@@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50098409
(CHEMBL3593403)Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C14H18ClFN2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-13(16)12(15)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human SERT expressed in CHOK1 cells incubated for 20 mins by [3H]-5-hydroxytryptamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098372
(CHEMBL3593396)Show SMILES Cl.OC[C@H]1CNCCO[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098412
(CHEMBL3593400)Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C14H18Cl2N2O2/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19)/t11-,14-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098373
(CHEMBL3593395)Show SMILES Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12/h1-2,5,9,12,15-16H,3-4,6-7H2/t9-,12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098377
(CHEMBL3593391)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098376
(CHEMBL3593392)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2/t12-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098384
(CHEMBL3593275)Show InChI InChI=1S/C12H15Cl2NO2/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12/h1-2,7,15-16H,3-6,8H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50098371
(CHEMBL3593397)Show SMILES Cl.NC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C12H14Cl2N2O2/c13-9-2-1-7(5-10(9)14)11-8(12(15)17)6-16-3-4-18-11/h1-2,5,8,11,16H,3-4,6H2,(H2,15,17)/t8-,11+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human DAT expressed in CHOK1 cells incubated for 60 mins by [3H]-dopamine uptake assay |
Bioorg Med Chem 23: 5000-14 (2015)
Article DOI: 10.1016/j.bmc.2015.05.017
BindingDB Entry DOI: 10.7270/Q22F7Q6R |
More data for this
Ligand-Target Pair | |
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