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SMILES CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1

InChI Key InChIKey=RTHCYVBBDHJXIQ-MRXNPFEDSA-N

PDB links: 2 PDB IDs match 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 11 hits for monomerid = 50136166   

TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
FAES FARMA S A

Curated by ChEMBL
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataKi:  30.8nMAssay Description:Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar ratsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8TMNPubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataKi:  1.66E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RN36B3PubMed
Target5-hydroxytryptamine receptor 1B(Rattus norvegicus (Rat))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataKi:  3.39E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RN36B3PubMed
TargetBeta-arrestin-2(Beef)
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataKi:  3.63E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RN36B3PubMed
Target5-hydroxytryptamine 1D receptor(Bos taurus (Bovine))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataKi:  3.89E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RN36B3PubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataKi:  5.89E+3nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RN36B3PubMed
Target5-hydroxytryptamine receptor 3A(RAT)
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RN36B3PubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 1A receptor (5-HT1A) by displacement of [3H]8-OH-DPAT from rat hippocampus membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8TMNPubMed
TargetTransporter(Rattus norvegicus)
FAES FARMA S A

Curated by ChEMBL
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar ratsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8TMNPubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat prefrontal cerebral cortex mambranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8TMNPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
FAES FARMA S A

Curated by ChEMBL
LigandPNGBDBM50136166((3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)pheno...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Binding affinity against dopamine transporter (DAT) by displacement of [3H]WIN-35428 in male wistar ratsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QF8TMNPubMed