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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154648   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Choline kinase alpha (Homo sapiens (Human))	BDBM50154648 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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