Compile Data Set for Download or QSAR
Report error Found 16 Enz. Inhib. hit(s) with all data for entry = 50016039
TargetAcetylcholinesterase(Human)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50591658(CHEMBL5187881)
Affinity DataIC50: 0.150nMAssay Description:Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 10 mins by DTNB reagent based Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetDNA topoisomerase 2(Fruit fly)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50495519(CHEMBL3109309)
Affinity DataIC50: 3.08E+3nMAssay Description:Inhibition of Drosophila topoisomerase II assessed as relaxation of supercoiled plasmid pBR322 DNA incubated for 30 mins by ethidium bromide staining...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetDNA gyrase A/A/B/B tetramer(Escherichia coli (strain K12))
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50495519(CHEMBL3109309)
Affinity DataIC50: 1.84E+4nMAssay Description:Inhibition of Escherichia coli DNA gyrase supercoiling activity using pBR322 DNA as substrate incubated for 2 hrs by ethidium bromide/bromophenol blu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetDNA gyrase A/A/B/B tetramer(Escherichia coli (strain K12))
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50495519(CHEMBL3109309)
Affinity DataIC50: 2.77E+4nMAssay Description:Inhibition of Escherichia coli DNA gyrase assessed as inhibition of relaxation of supercoiled plasmid pBR322 DNA incubated for 2 hrs by ethidium brom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]serotonin from recombinant human 5-HT1D receptor expressed in HEK293 cells incubated for 1 hr by competitive radioligand binding ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50108659(1'-benzyl-3-methoxyspiro[1,3-dihydroisobenzofuran-...)
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 150 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 150 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50120472(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 150 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Guinea pig)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50108669(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Affinity DataKi:  2.10nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 150 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetD(1A) dopamine receptor(Pig)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50033116(CHEMBL291143 | cid_6603703 | (1R,3S)-3-Adamantan-1...)
Affinity DataKi:  3.90nMAssay Description:Displacement of [3H]SCH-23390 from porcine striatum dopamine D1 receptor incubated for 30 mins by radioligand competition binding assay based scintil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 2A(Human)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Affinity DataKi:  168nMAssay Description:Displacement of ketanserin from human 5-HT2A receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetD(2) dopamine receptor(Human)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Affinity DataKi:  241nMAssay Description:Displacement of PNU-86170 from human dopamine D2 receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Affinity DataKi:  1.09E+3nMAssay Description:Displacement of 8-OH-DPAT from human 5-HT1A receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay basedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetSigma intracellular receptor 2(Rat)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50120472(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Affinity DataKi:  1.59E+3nMAssay Description:Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat liver membranes measured after 120 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetD(4) dopamine receptor(Human)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Affinity DataKi:  3.70E+3nMAssay Description:Displacement of spiperone from human dopamine D4 receptor expressed in CHO cell membrane incubated for 1 hr by competitive radioligand binding assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Shaanxi University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50064786((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Affinity DataKi:  5.78E+3nMAssay Description:Displacement of [3H]serotonin from recombinant human 5-HT1B receptor expressed in HEK293 cells incubated for 1 hr by competitive radioligand binding ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed