BDBM50613240 CHEMBL5278003

SMILES C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc65)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12

InChI Key InChIKey=YIVXLYPFIDEQFV-UHFFFAOYSA-O

Data  4 KI  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50613240   

TargetSigma non-opioid intracellular receptor 1(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50613240(CHEMBL5278003)
Affinity DataKd:  19nMAssay Description:Displacement of (+)-pentazocine from sigma 1 receptor in human MCF7 cells assessed as dissociation constant in presence of DTG incubated for 120 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50613240(CHEMBL5278003)
Affinity DataKd:  14nMAssay Description:Displacement of (+)-pentazocine from sigma 1 receptor in human MCF7 cells assessed as dissociation constant in presence of 2-(3-(6,7-dimethoxy-3,4-di...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50613240(CHEMBL5278003)
Affinity DataKi:  0.580nMAssay Description:Binding affinity to sigma 2 receptor in human MCF7 cells assessed as displacement of compound by measuring inhibition constant of DTG incubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50613240(CHEMBL5278003)
Affinity DataKi:  5nMAssay Description:Binding affinity to sigma 2 receptor in human MCF7 cells assessed as displacement of compound by measuring inhibition constant of 2-(3-(6,7-dimethoxy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetSigma intracellular receptor 2(Rat)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50613240(CHEMBL5278003)
Affinity DataKi:  51nMAssay Description:Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membrane assessed as inhibition constant incubated for 120 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM50613240(CHEMBL5278003)
Affinity DataKi:  448nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane assessed as inhibition constant incubated for 120 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed