BDBM50166179 Bisquinolinium derivative::CHEMBL372647

SMILES: Cc1c(N)ccc2c1n(Cc1ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccc(Cl)cc5)c5ccc(N)c(C)c45)cc3)cc1)cc\c2=[N+](\C)c1ccc(Cl)cc1

InChI Key: InChIKey=NXMBMRBYLSEKQX-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 = 50166179   

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))	BDBM50166179 (Bisquinolinium derivative | CHEMBL372647) Show SMILES Cc1c(N)ccc2c1n(Cc1ccc(CCc3ccc(Cn4cc\c(=[N+](/C)c5ccc(Cl)cc5)c5ccc(N)c(C)c45)cc3)cc1)cc\c2=[N+](\C)c1ccc(Cl)cc1 Show InChI InChI=1S/C50H46Cl2N6/c1-33-45(53)25-23-43-47(55(3)41-19-15-39(51)16-20-41)27-29-57(49(33)43)31-37-11-7-35(8-12-37)5-6-36-9-13-38(14-10-36)32-58-30-28-48(44-24-26-46(54)34(2)50(44)58)56(4)42-21-17-40(52)18-22-42/h7-30,53-54H,5-6,31-32H2,1-4H3/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	5.75E+4	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