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BDBM50154648 4N-methyl-4N-phenyl-1-[2-(4-methylanilino-1-pyridiniumylmethyl)-(1S,2S)-cyclopropylmethyl]-4-pyridiniumamine; dibromide::CHEMBL364174

SMILES: C[N+](c1ccccc1)=c1ccn(CC2CC2Cn2ccc(cc2)=[N+](C)c2ccccc2)cc1

InChI Key: InChIKey=IBBBUIJTXFXVKQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154648   
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
Choline kinase alpha


(Homo sapiens (Human))
BDBM50154648
PNG
(4N-methyl-4N-phenyl-1-[2-(4-methylanilino-1-pyridi...)
Show SMILES C[N+](c1ccccc1)=c1ccn(CC2CC2Cn2ccc(cc2)=[N+](C)c2ccccc2)cc1
Show InChI InChI=1S/C29H32N4/c1-30(26-9-5-3-6-10-26)28-13-17-32(18-14-28)22-24-21-25(24)23-33-19-15-29(16-20-33)31(2)27-11-7-4-8-12-27/h3-20,24-25H,21-23H2,1-2H3/q+2
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MMDB

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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Grenada

Curated by ChEMBL


Assay Description
Inhibitory activity against human choline kinase enzyme


J Med Chem 47: 5433-40 (2004)


Article DOI: 10.1021/jm0496537
BindingDB Entry DOI: 10.7270/Q22V2FM2
More data for this
Ligand-Target Pair