Compile Data Set for Download or QSAR

Found 31 hits of Enzyme Inhibition Constant Data   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM30130(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)copy SMILEScopy InChI
Affinity DataIC50: 3.10nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMedDrugBank
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM30130(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)copy SMILEScopy InChI
Affinity DataIC50: 12.6nMAssay Description:Displacement of [3H]paroxetine from SERT in rat cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325937(CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...)copy SMILEScopy InChI
Affinity DataIC50: 13.3nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325936((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 14.7nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 19.8nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325937(CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...)copy SMILEScopy InChI
Affinity DataIC50: 32nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)copy SMILEScopy InChI
Affinity DataIC50: 35nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMedDrugBank
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 58nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325935(CHEMBL1224381 | rac-3-(3,4-dichlorophenyl)-N-methy...)copy SMILEScopy InChI
Affinity DataIC50: 69nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50243895(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)copy SMILEScopy InChI
Affinity DataIC50: 72.4nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325934(CHEMBL1224303 | rac-3-(3,4-dichlorophenyl)-N,N-dim...)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325936((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 91.7nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50243895(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)copy SMILEScopy InChI
Affinity DataIC50: 93.8nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325935(CHEMBL1224381 | rac-3-(3,4-dichlorophenyl)-N-methy...)copy SMILEScopy InChI
Affinity DataIC50: 116nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325932(CHEMBL1224224 | rac-N,N-dimethyl-3-(naphthalen-2-y...)copy SMILEScopy InChI
Affinity DataIC50: 138nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 143nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325935(CHEMBL1224381 | rac-3-(3,4-dichlorophenyl)-N-methy...)copy SMILEScopy InChI
Affinity DataIC50: 181nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50243895(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)copy SMILEScopy InChI
Affinity DataIC50: 215nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325934(CHEMBL1224303 | rac-3-(3,4-dichlorophenyl)-N,N-dim...)copy SMILEScopy InChI
Affinity DataIC50: 234nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325932(CHEMBL1224224 | rac-N,N-dimethyl-3-(naphthalen-2-y...)copy SMILEScopy InChI
Affinity DataIC50: 264nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325934(CHEMBL1224303 | rac-3-(3,4-dichlorophenyl)-N,N-dim...)copy SMILEScopy InChI
Affinity DataIC50: 279nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)copy SMILEScopy InChI
Affinity DataIC50: 581nMAssay Description:Inhibition of norepinephrine reuptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMedDrugBank
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325932(CHEMBL1224224 | rac-N,N-dimethyl-3-(naphthalen-2-y...)copy SMILEScopy InChI
Affinity DataIC50: 616nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325936((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...)copy SMILEScopy InChI
Affinity DataIC50: 660nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325937(CHEMBL1224227 | rac-N-methyl-3-(naphthalen-2-yl)-3...)copy SMILEScopy InChI
Affinity DataIC50: 1.24E+3nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM82071(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)copy SMILEScopy InChI
Affinity DataIC50: 7.34E+3nMAssay Description:Inhibition of dopamine reuptake at human dopamine transporter expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMedDrugBank
TargetCytochrome P450 1A2(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Korea Institute of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50325933((S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1RQ7PubMed
* indicates data uncertainty>20%