BDBM50166173 Bisquinolinium derivative::CHEMBL193262

SMILES: Cc1c(N)ccc2c1n(Cc1ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccccc5)c5ccc(N)c(C)c45)cc3)cc1)cc\c2=[N+](\C)c1ccccc1

InChI Key: InChIKey=HONWHOZZNVXTBR-UHFFFAOYSA-P

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 = 50166173   

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))	BDBM50166173 (Bisquinolinium derivative | CHEMBL193262) Show SMILES Cc1c(N)ccc2c1n(Cc1ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccccc5)c5ccc(N)c(C)c45)cc3)cc1)cc\c2=[N+](\C)c1ccccc1 Show InChI InChI=1S/C50H48N6/c1-35-45(51)27-25-43-47(53(3)41-11-7-5-8-12-41)29-31-55(49(35)43)33-39-21-17-37(18-22-39)15-16-38-19-23-40(24-20-38)34-56-32-30-48(54(4)42-13-9-6-10-14-42)44-26-28-46(52)36(2)50(44)56/h5-14,17-32,51-52H,15-16,33-34H2,1-4H3/p+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Ex vivo inhibitory concentration against human choline kinase				J Med Chem 48: 3354-63 (2005) Article DOI: 10.1021/jm049061o BindingDB Entry DOI: 10.7270/Q2WD403P
					More data for this Ligand-Target Pair