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46 molecules are shown

Wt: 400.5
BDBM50067204
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50067204   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High-affinity choline transporter


(Homo sapiens (Human))
BDBM50067204
PNG
(CHEMBL3183383)
Show SMILES CCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)cn1
Show InChI InChI=1S/C22H32N4O3/c1-5-26-15-17(14-24-26)13-23-22(27)18-6-7-20(28-4)21(12-18)29-19-8-10-25(11-9-19)16(2)3/h6-7,12,14-16,19H,5,8-11,13H2,1-4H3,(H,23,27)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 10 uM [3H]...


Bioorg Med Chem Lett 25: 1757-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.058
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM50067204
PNG
(CHEMBL3183383)
Show SMILES CCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)cn1
Show InChI InChI=1S/C22H32N4O3/c1-5-26-15-17(14-24-26)13-23-22(27)18-6-7-20(28-4)21(12-18)29-19-8-10-25(11-9-19)16(2)3/h6-7,12,14-16,19H,5,8-11,13H2,1-4H3,(H,23,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.27E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 100 nM [3H...


Bioorg Med Chem Lett 25: 1757-60 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.058
More data for this
Ligand-Target Pair