BDBM50166198 Bisquinolinium derivative::CHEMBL366224

SMILES: C(c1ccc(cc1)-c1ccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)cc1)n1ccc(=[N+]2CCCCCC2)c2ccccc12

InChI Key: InChIKey=HWDGDVNJZOXXKY-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 = 50166198   

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))	BDBM50166198 (Bisquinolinium derivative | CHEMBL366224) Show SMILES C(c1ccc(cc1)-c1ccc(Cn2ccc(=[N+]3CCCCCC3)c3ccccc23)cc1)n1ccc(=[N+]2CCCCCC2)c2ccccc12 |(-3.14,-3.12,;-1.73,-3.73,;-.99,-5.08,;.54,-5.11,;1.35,-3.8,;.61,-2.46,;-.92,-2.42,;2.88,-3.83,;3.67,-2.52,;5.21,-2.54,;5.95,-3.89,;7.27,-3.1,;7.24,-1.56,;5.88,-.82,;5.85,.74,;7.17,1.53,;7.12,3.07,;5.74,3.7,;5.35,5.19,;6.27,6.43,;7.81,6.46,;8.8,5.28,;8.51,3.77,;8.51,.78,;9.82,1.58,;11.18,.85,;11.21,-.7,;9.89,-1.5,;8.54,-.75,;5.16,-5.21,;3.62,-5.18,;-3.33,-1.59,;-2.09,-.68,;-2.28,.86,;-3.68,1.46,;-3.89,3,;-5.33,3.49,;-5.87,4.94,;-5.07,6.26,;-3.54,6.45,;-2.42,5.38,;-2.58,3.84,;-4.91,.55,;-6.33,1.14,;-7.55,.23,;-7.38,-1.31,;-5.97,-1.92,;-4.73,-.99,)| Show InChI InChI=1S/C44H48N4/c1-2-10-28-45(27-9-1)43-25-31-47(41-15-7-5-13-39(41)43)33-35-17-21-37(22-18-35)38-23-19-36(20-24-38)34-48-32-26-44(40-14-6-8-16-42(40)48)46-29-11-3-4-12-30-46/h5-8,13-26,31-32H,1-4,9-12,27-30,33-34H2/q+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	2.20E+3	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