Compile Data Set for Download or QSAR

Found 31 hits of Enzyme Inhibition Constant Data   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50295294((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)copy SMILEScopy InChI
Affinity DataIC50: 0.130nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50173715((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)copy SMILEScopy InChI
Affinity DataIC50: 0.360nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50209168((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)copy SMILEScopy InChI
Affinity DataIC50: 0.720nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309602((+)-3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1...)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309602((+)-3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1...)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50162700(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309596(3-(2-(1,2-dimethylpiperidin-2-yl)ethyl)-1H-indole-...)copy SMILEScopy InChI
Affinity DataIC50: 2.10nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM30130(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMedDrugBank
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309589(3-(2-(piperidin-2-yl)ethyl)-1H-indole-5-carbonitri...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309590(3-(2-(1-methylpiperidin-2-yl)ethyl)-1H-indole-5-ca...)copy SMILEScopy InChI
Affinity DataIC50: 3.90nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309591(3-(2-(1-ethylpiperidin-2-yl)ethyl)-1H-indole-5-car...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309602((+)-3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1...)copy SMILEScopy InChI
Affinity DataIC50: 4.20nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309603(1-(2-(5-fluoro-1H-indol-3-yl)ethyl)-2-methyl-1,2,3...)copy SMILEScopy InChI
Affinity DataIC50: 5.70nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309593(3-(2-(1-benzylpiperidin-2-yl)ethyl)-1H-indole-5-ca...)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309598(3-(2-((2S,4S)-4-benzyl-1-methylpiperidin-2-yl)ethy...)copy SMILEScopy InChI
Affinity DataIC50: 7.60nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309601(3-(2-(1-methylpyrrolidin-2-yl)ethyl)-1H-indole-5-c...)copy SMILEScopy InChI
Affinity DataIC50: 8.10nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309600(3-(2-(pyrrolidin-2-yl)ethyl)-1H-indole-5-carbonitr...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309595(3-(2-(2-methylpiperidin-2-yl)ethyl)-1H-indole-5-ca...)copy SMILEScopy InChI
Affinity DataIC50: 17nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309597(3-(2-((2S,4S)-4-benzylpiperidin-2-yl)ethyl)-1H-ind...)copy SMILEScopy InChI
Affinity DataIC50: 18nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309594(3-(2-(1-(3,5-bis(trifluoromethyl)benzyl)piperidin-...)copy SMILEScopy InChI
Affinity DataIC50: 46nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309599(3-(2-(4-methylmorpholin-3-yl)ethyl)-1H-indole-5-ca...)copy SMILEScopy InChI
Affinity DataIC50: 76nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309592(3-(2-(1-(3,3,3-trifluoropropyl)piperidin-2-yl)ethy...)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309604(1-(2-(5-methoxy-1H-indol-3-yl)ethyl)-2-methyl-1,2,...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50209168((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)copy SMILEScopy InChI
Affinity DataIC50: 290nMAssay Description:Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50209168((R)-3-(4-(dimethylamino)cyclohex-1-enyl)-1H-indole...)copy SMILEScopy InChI
Affinity DataIC50: 390nMAssay Description:Displacement of [I125]nisoxetine from human NET transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309602((+)-3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1...)copy SMILEScopy InChI
Affinity DataIC50: 620nMAssay Description:Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50295294((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)copy SMILEScopy InChI
Affinity DataIC50: 690nMAssay Description:Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50173715((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)copy SMILEScopy InChI
Affinity DataIC50: 4.20E+3nMAssay Description:Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50295294((+/-)-trans-3-(2-((dimethylamino)methyl)cyclopenty...)copy SMILEScopy InChI
Affinity DataIC50: 7.90E+3nMAssay Description:Displacement of [I125]nisoxetine from human NET transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50173715((+)3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1...)copy SMILEScopy InChI
Affinity DataIC50: 9.20E+3nMAssay Description:Displacement of [I125]nisoxetine from human NET transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50309602((+)-3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-1...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [I125]nisoxetine from human NET transfected in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2125SSBPubMed
* indicates data uncertainty>20%