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SMILES OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1

InChI Key InChIKey=HYJVYRBGCPGOSX-SANMLTNESA-N

  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 8 hits for monomerid = 50445477   

TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University of M£nster

Curated by ChEMBL
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T15562PubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University of M£nster

Curated by ChEMBL
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenatesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SF2XM7PubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
University of M£nster

Curated by ChEMBL
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  3.5nMAssay Description:Inhibition of purified human kidney thiopurine methyltransferase (TPMT)More data for this Ligand-Target Pair
In DepthDetails
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))TBA
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  34nMAssay Description:Inhibition of purified human kidney thiopurine methyltransferase (TPMT)More data for this Ligand-Target Pair
In DepthDetails
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))TBA
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  34nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SF2XM7PubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))TBA
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  34nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T15562PubMed
TargetSigma intracellular receptor 2(Homo sapiens (Human))TBA
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  43nMAssay Description:Inhibition of purified human kidney thiopurine methyltransferase (TPMT)More data for this Ligand-Target Pair
In DepthDetails
TargetSigma intracellular receptor 2(Rattus norvegicus (Rat))TBA
LigandPNGBDBM50445477(CHEMBL3104856)copy SMILEScopy InChI
Affinity DataKi:  73nMAssay Description:Inhibition of purified human kidney thiopurine methyltransferase (TPMT)More data for this Ligand-Target Pair
In DepthDetails