BDBM50166197 Bisquinolinium derivative::CHEMBL426637

SMILES: Cc1c(N)ccc2c1n(Cc1cccc(c1)-c1cccc(Cn3cc\c(=[N+](/C)c4ccc(Cl)cc4)c4ccc(N)c(C)c34)c1)cc\c2=[N+](\C)c1ccc(Cl)cc1

InChI Key: InChIKey=OGVMQGMFZYBNKO-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 = 50166197   

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))	BDBM50166197 (Bisquinolinium derivative | CHEMBL426637) Show SMILES Cc1c(N)ccc2c1n(Cc1cccc(c1)-c1cccc(Cn3cc\c(=[N+](/C)c4ccc(Cl)cc4)c4ccc(N)c(C)c34)c1)cc\c2=[N+](\C)c1ccc(Cl)cc1 Show InChI InChI=1S/C48H42Cl2N6/c1-31-43(51)21-19-41-45(53(3)39-15-11-37(49)12-16-39)23-25-55(47(31)41)29-33-7-5-9-35(27-33)36-10-6-8-34(28-36)30-56-26-24-46(42-20-22-44(52)32(2)48(42)56)54(4)40-17-13-38(50)14-18-40/h5-28,51-52H,29-30H2,1-4H3/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	1.47E+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