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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 1' and Ligand = 'BDBM50176259'   
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
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
PDB

UniProtKB/SwissProt

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DrugBank
KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 5.25E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy


J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.88E+4n/an/an/an/an/an/a



University Medicine Greifswald

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis


J Med Chem 62: 9890-9905 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01301
BindingDB Entry DOI: 10.7270/Q2QV3QSW
More data for this
Ligand-Target Pair