BDBM50166201 Bisquinolinium derivative::CHEMBL192379

SMILES: Cc1c(N)ccc2c1n(Cc1cccc(c1)-c1cccc(Cn3cc\c(=[N+](/C)c4ccccc4)c4ccc(N)c(C)c34)c1)cc\c2=[N+](\C)c1ccccc1

InChI Key: InChIKey=GRBMJQHVPCPMAD-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 = 50166201   

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))	BDBM50166201 (Bisquinolinium derivative | CHEMBL192379) Show SMILES Cc1c(N)ccc2c1n(Cc1cccc(c1)-c1cccc(Cn3cc\c(=[N+](/C)c4ccccc4)c4ccc(N)c(C)c34)c1)cc\c2=[N+](\C)c1ccccc1 Show InChI InChI=1S/C48H44N6/c1-33-43(49)23-21-41-45(51(3)39-17-7-5-8-18-39)25-27-53(47(33)41)31-35-13-11-15-37(29-35)38-16-12-14-36(30-38)32-54-28-26-46(52(4)40-19-9-6-10-20-40)42-22-24-44(50)34(2)48(42)54/h5-30,49-50H,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	5.68E+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