Compile Data Set for Download or QSAR
Report error Found 45 Enz. Inhib. hit(s) with all data for entry = 50021200
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638234(CHEMBL5562425)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50051276(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638245(CHEMBL5556096)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50051276(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Affinity DataKi:  6.40nMAssay Description:Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638241(CHEMBL5561354)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638229(CHEMBL5557616)
Affinity DataKi:  14nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638231(CHEMBL5568028)
Affinity DataKi:  14nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638227(CHEMBL5560383)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638221(CHEMBL5559576)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638246(CHEMBL5557959)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638236(CHEMBL5560361)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638223(CHEMBL5567296)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638233(CHEMBL5563524)
Affinity DataKi:  21nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50051276(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Affinity DataKi:  22nMAssay Description:Displacement of [3H]di-o-tolylguanidine from human sigma 2 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638243(CHEMBL5562796)
Affinity DataKi:  23nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638237(CHEMBL5556546)
Affinity DataKi:  38nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638228(CHEMBL5556112)
Affinity DataKi:  42nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638222(CHEMBL5568294)
Affinity DataKi:  42nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638240(CHEMBL5560605)
Affinity DataKi:  77nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50308028(4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine | ...)
Affinity DataKi:  82nMAssay Description:Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638230(CHEMBL5557188)
Affinity DataKi:  86nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638232(CHEMBL5561656)
Affinity DataKi:  87nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638226(CHEMBL5560508)
Affinity DataKi:  120nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638235(CHEMBL5567530)
Affinity DataKi:  133nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638247(CHEMBL5555550)
Affinity DataKi:  181nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50051276(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Affinity DataKi:  221nMAssay Description:Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638239(CHEMBL5560083)
Affinity DataKi:  237nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638224(CHEMBL5561142)
Affinity DataKi:  336nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638225(CHEMBL5555452)
Affinity DataKi:  440nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638238(CHEMBL5558253)
Affinity DataKi:  818nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638244(CHEMBL5566302)
Affinity DataKi:  967nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]di-o-tolylguanidine from human sigma 2 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638221(CHEMBL5559576)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]di-o-tolylguanidine from human sigma 2 receptor transfected in HEK239 cell membrane assessed as inhibition constant incubated for...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of alpha 1A adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of 5-HT1A receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of 5-HT2B receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetKappa-type opioid receptor(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of kappa opioid receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMu-type opioid receptor(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSodium-dependent dopamine transporter(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of dopamine transporter (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of alpha 2A adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of norepinephrine transporter (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetHistamine H1 receptor(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of histamine H1 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetDelta-type opioid receptor(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50638242(CHEMBL5542124)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetSigma intracellular receptor 2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50308028(4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine | ...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to sigma 2 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed