BindingDB logo
myBDB logout

PubMed code 3950917

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Choline transporter


(Mus musculus)
BDBM50026216
PNG
(1-Ethyl-1-(2-hydroxy-ethyl)-aziridinium; chloride ...)
Show SMILES CC[N+]1(CCO)CC1
Show InChI InChI=1S/C6H14NO/c1-2-7(3-4-7)5-6-8/h8H,2-6H2,1H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
Choline transporter


(Mus musculus)
BDBM50026220
PNG
(2-hydroxy-N,N,N-trimethylethanaminium | CHEMBL2824...)
Show SMILES C[N+](C)(C)CCO
Show InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
Choline transporter


(Mus musculus)
BDBM50026218
PNG
(1-(2-Hydroxy-ethyl)-1-isopropyl-aziridinium; chlor...)
Show SMILES CC(C)[N+]1(CCO)CC1
Show InChI InChI=1S/C7H16NO/c1-7(2)8(3-4-8)5-6-9/h7,9H,3-6H2,1-2H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
Choline transporter


(Mus musculus)
BDBM50026215
PNG
(1-Cyclopropyl-1-(2-hydroxy-ethyl)-aziridinium; chl...)
Show SMILES OCC[N+]1(CC1)C1CC1
Show InChI InChI=1S/C7H14NO/c9-6-5-8(3-4-8)7-1-2-7/h7,9H,1-6H2/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50026215
PNG
(1-Cyclopropyl-1-(2-hydroxy-ethyl)-aziridinium; chl...)
Show SMILES OCC[N+]1(CC1)C1CC1
Show InChI InChI=1S/C7H14NO/c9-6-5-8(3-4-8)7-1-2-7/h7,9H,1-6H2/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.25E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its ability to displace [3H]-QNB from brain Muscarinic acetylcholine receptor by 50 %


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
Choline transporter


(Mus musculus)
BDBM50026219
PNG
(1-(2-Hydroxy-ethyl)-1-propyl-aziridinium; chloride...)
Show SMILES CCC[N+]1(CCO)CC1
Show InChI InChI=1S/C7H16NO/c1-2-3-8(4-5-8)6-7-9/h9H,2-7H2,1H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
Choline transporter


(Mus musculus)
BDBM50026217
PNG
(1-(2-Hydroxy-ethyl)-1-isobutyl-aziridinium; chlori...)
Show SMILES CC(C)C[N+]1(CCO)CC1
Show InChI InChI=1S/C8H18NO/c1-8(2)7-9(3-4-9)5-6-10/h8,10H,3-7H2,1-2H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
Choline transporter


(Mus musculus)
BDBM50026221
PNG
(1-Butyl-1-(2-hydroxy-ethyl)-aziridinium; chloride ...)
Show SMILES CCCC[N+]1(CCO)CC1
Show InChI InChI=1S/C8H18NO/c1-2-3-4-9(5-6-9)7-8-10/h10H,2-8H2,1H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its ability to inhibit the transport of [3H]-choline in to high affinity choline transport system HAChT


J Med Chem 29: 376-80 (1986)


Article DOI: 10.1021/jm00153a012
BindingDB Entry DOI: 10.7270/Q2CJ8CHV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%