null

SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1

InChI Key InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50048392   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Novo Industri A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28C9TR3PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataKi:  9.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V69H3DPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Novo Industri A/S

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WQ02CPPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6W98PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cellsChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5HMBPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataKi:  1.33E+4nMAssay Description:SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fl...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q26D5WBRUS Patent
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CF9Q9NPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of [3H]serotonin uptake at human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FN1693PubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataIC50: 4.70E+4nMAssay Description:Inhibition of [3H]paroxetine binding at serotonin transporter was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FF3T3JPubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Mayo Clinic Jacksonville

Curated by PDSP Ki Database
LigandPNGBDBM50048392(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human SERTexpressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake after 10 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24M95H8PubMed