BDBM50166170 Bisquinolinium derivative::CHEMBL192987

SMILES: C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[N+](C)C)c5ccccc45)cc3)cc2)c2ccccc12

InChI Key: InChIKey=XVDKPOWCTFDCDS-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 = 50166170   

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))	BDBM50166170 (Bisquinolinium derivative | CHEMBL192987) Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[N+](C)C)c5ccccc45)cc3)cc2)c2ccccc12 |(-2.72,3.79,;-3.96,2.86,;-5.37,3.45,;-3.76,1.32,;-2.35,.72,;-2.16,-.82,;-3.4,-1.73,;-3.21,-3.27,;-1.8,-3.87,;-1,-2.57,;.54,-2.6,;1.28,-3.94,;2.82,-3.97,;3.57,-5.32,;5.11,-5.35,;5.84,-6.7,;7.38,-6.73,;8.17,-5.41,;9.49,-4.62,;9.46,-3.08,;8.1,-2.34,;8.07,-.78,;9.39,.02,;9.34,1.56,;10.66,2.35,;7.99,2.29,;10.73,-.73,;12.05,.06,;13.4,-.66,;13.44,-2.22,;12.12,-3.02,;10.76,-2.27,;7.43,-4.06,;5.89,-4.04,;.47,-5.26,;-1.07,-5.23,;-4.81,-1.13,;-6.04,-2.06,;-7.46,-1.45,;-7.64,.09,;-6.41,1,;-4.98,.41,)| Show InChI InChI=1S/C38H40N4/c1-39(2)35-23-25-41(37-11-7-5-9-33(35)37)27-31-19-15-29(16-20-31)13-14-30-17-21-32(22-18-30)28-42-26-24-36(40(3)4)34-10-6-8-12-38(34)42/h5-12,15-26H,13-14,27-28H2,1-4H3/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	1.02E+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