BDBM50166196 Bisquinolinium derivative::CHEMBL371151

SMILES: Clc1ccc2c(c1)n(Cc1ccc(CCc3ccc(Cn4ccc(=[NH2+])c5ccc(Cl)cc45)cc3)cc1)ccc2=[NH2+]

InChI Key: InChIKey=LRWVVGVVPSRJHK-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 = 50166196   

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))	BDBM50166196 (Bisquinolinium derivative | CHEMBL371151) Show SMILES Clc1ccc2c(c1)n(Cc1ccc(CCc3ccc(Cn4ccc(=[NH2+])c5ccc(Cl)cc45)cc3)cc1)ccc2=[NH2+] Show InChI InChI=1S/C34H28Cl2N4/c35-27-11-13-29-31(37)15-17-39(33(29)19-27)21-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)22-40-18-16-32(38)30-14-12-28(36)20-34(30)40/h3-20,37-38H,1-2,21-22H2/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	>2.00E+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