BDBM50604966 CHEMBL5175530

SMILES CCCN1CCN(CC1)c1ccc2C3CC(N(CC3)C(=O)OCc3ccccc3)c2c1

InChI Key InChIKey=FFCRKESJGXTNRJ-UHFFFAOYSA-N

Data  12 KI

  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 12 hits for monomerid = 50604966   

TargetSigma intracellular receptor 2(Rat)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  5.10nMAssay Description:Binding affinity to rat sigma 2 receptor/TMEM97 expressed in rat PC-12 cells assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSigma intracellular receptor 2(Rat)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  5.10nMAssay Description:Displacement of [3H]-ditolylguanidine from sigma 2 receptor/TMEM97 in rat PC-12 cells assessed as inhibition constant in the presence of (+)-pentazoc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetSigma intracellular receptor 2(Rat)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  5.10nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  7.90nMAssay Description:Displacement of [3H](+)-ditolylguanidine from human sigma 2 receptor/TMEM97 transfected in human HEK293T cells assessed as inhibition constant in pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  8.5nMAssay Description:Displacement of [3H](+)-ditolylguanidine from human sigma 2 receptor/TMEM97 transfected in human HEK293T cells assessed as inhibition constant in pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  29nMAssay Description:Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in human HEK293T cells assessed as inhibition constant by radioligand com...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  30nMAssay Description:Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in human HEK293T cells assessed as inhibition constant by radioligand com...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  31nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  230nMAssay Description:Binding affinity to sigma 1 receptor expressed in guinea pig brain membrane assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSigma intracellular receptor 2(Rat)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  230nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
University of Texas At Austin

Curated by ChEMBL
LigandPNGBDBM50604966(CHEMBL5175530)
Affinity DataKi:  230nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed