BDBM50026220 2-hydroxy-N,N,N-trimethylethanaminium::CHEMBL282468::CHEMBL293410::CHEMBL920::N-trimethylethanolamine::OXTRIPHYLLINE::choline::trimethylethanolamine

SMILES C[N+](C)(C)CCO

InChI Key InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N

Data  17 KI  9 IC50

PDB links: 57 PDB IDs match this monomer.

  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 26 hits for monomerid = 50026220   

TargetHigh affinity choline transporter 1(Mus musculus)
Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  681nMAssay Description:Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosomeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Homo sapiens (Human))
Barrow Neurological Institute

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  7.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNicotinic acetylcholine receptor(RAT)
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-2(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-2(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rattus norvegicus (Rat))
Georgetown University

Curated by PDSP Ki Database
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-2/beta-2(Rattus norvegicus (Rat))
Georgetown University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  1.80E+4nMAssay Description:Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-4(Rattus norvegicus (Rat))
Georgetown University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  3.40E+4nMAssay Description:Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-2(Rattus norvegicus (Rat))
Georgetown University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  3.70E+4nMAssay Description:Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Georgetown University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  3.70E+4nMAssay Description:Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent creatine transporter 1(Rattus norvegicus)
Texas Tech University Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  4.20E+4nMAssay Description:Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male ratsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4(Rattus norvegicus (Rat))
Georgetown University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  4.80E+4nMAssay Description:Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholine O-acetyltransferase(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  4.00E+5nMAssay Description:Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)More data for this Ligand-Target Pair
TargetCholine O-acetyltransferase(RAT)
TBA

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataKi:  7.60E+6nMAssay Description:Compound was evaluated for reversible inhibition of hydrolysis acetylcholine by acetylcholinesterase and represented as KI(noncompetitive)More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 2(RAT)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  1.59E+5nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Tetronarce californica (Pacific electric ray) (Tor...)
University of North Carolina

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  3.01E+6nMAssay Description:Inhibitory activity against AcetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity choline transporter 1(Mus musculus)
Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  1.60E+3nMAssay Description:Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(RAT)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  1.45E+6nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT2-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(RAT)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  3.98E+5nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 100 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 2(Mus musculus)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  2.17E+5nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(Mus musculus)
Kyushu University

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  5.50E+4nMAssay Description:TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 1(RAT)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  1.45E+6nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Harvard University

Curated by ChEMBL
LigandPNGBDBM50026220(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Affinity DataIC50:  3.01E+6nMAssay Description:Inhibition acetylcholinesterase (AChE) enzyme.More data for this Ligand-Target Pair