Found 31 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from SERT in rat cerebral cortex |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50325937
(CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...)Show InChI InChI=1S/C15H17N5/c1-16-9-8-15(20-18-11-17-19-20)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,15-16H,8-9H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50325936
((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...)Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1 |r| Show InChI InChI=1S/C13H14Cl2N8/c1-16-5-4-12(9-2-3-10(14)11(15)8-9)22-20-13(19-21-22)23-17-6-7-18-23/h2-3,6-8,12,16H,4-5H2,1H3/t12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50325937
(CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...)Show InChI InChI=1S/C15H17N5/c1-16-9-8-15(20-18-11-17-19-20)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,15-16H,8-9H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM82071
(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
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/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 | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50325935
(CHEMBL1224381 | rac-3-(3,4-dichlorophenyl)-N-methy...)Show InChI InChI=1S/C11H13Cl2N5/c1-14-5-4-11(18-16-7-15-17-18)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 72.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50325934
(CHEMBL1224303 | rac-3-(3,4-dichlorophenyl)-N,N-dim...)Show InChI InChI=1S/C12H15Cl2N5/c1-18(2)6-5-12(19-16-8-15-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50325936
((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...)Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1 |r| Show InChI InChI=1S/C13H14Cl2N8/c1-16-5-4-12(9-2-3-10(14)11(15)8-9)22-20-13(19-21-22)23-17-6-7-18-23/h2-3,6-8,12,16H,4-5H2,1H3/t12-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 91.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 93.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50325935
(CHEMBL1224381 | rac-3-(3,4-dichlorophenyl)-N-methy...)Show InChI InChI=1S/C11H13Cl2N5/c1-14-5-4-11(18-16-7-15-17-18)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50325932
(CHEMBL1224224 | rac-N,N-dimethyl-3-(naphthalen-2-y...)Show InChI InChI=1S/C16H19N5/c1-20(2)10-9-16(21-18-12-17-19-21)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16H,9-10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50325935
(CHEMBL1224381 | rac-3-(3,4-dichlorophenyl)-N-methy...)Show InChI InChI=1S/C11H13Cl2N5/c1-14-5-4-11(18-16-7-15-17-18)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50325934
(CHEMBL1224303 | rac-3-(3,4-dichlorophenyl)-N,N-dim...)Show InChI InChI=1S/C12H15Cl2N5/c1-18(2)6-5-12(19-16-8-15-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50325932
(CHEMBL1224224 | rac-N,N-dimethyl-3-(naphthalen-2-y...)Show InChI InChI=1S/C16H19N5/c1-20(2)10-9-16(21-18-12-17-19-21)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16H,9-10H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50325934
(CHEMBL1224303 | rac-3-(3,4-dichlorophenyl)-N,N-dim...)Show InChI InChI=1S/C12H15Cl2N5/c1-18(2)6-5-12(19-16-8-15-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 279 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM82071
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 581 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50325932
(CHEMBL1224224 | rac-N,N-dimethyl-3-(naphthalen-2-y...)Show InChI InChI=1S/C16H19N5/c1-20(2)10-9-16(21-18-12-17-19-21)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16H,9-10H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 616 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50325936
((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...)Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1 |r| Show InChI InChI=1S/C13H14Cl2N8/c1-16-5-4-12(9-2-3-10(14)11(15)8-9)22-20-13(19-21-22)23-17-6-7-18-23/h2-3,6-8,12,16H,4-5H2,1H3/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50325937
(CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...)Show InChI InChI=1S/C15H17N5/c1-16-9-8-15(20-18-11-17-19-20)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,15-16H,8-9H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM82071
(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 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 7.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cells |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50325933
((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)Show InChI InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 5567-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7 |
More data for this
Ligand-Target Pair | |
Search and Browse
