BDBM50166191 Bisquinolinium derivative::CHEMBL192631

SMILES: Clc1ccc2c(c1)n(Cc1ccc(cc1)-c1ccc(Cn3ccc(=[NH2+])c4ccc(Cl)cc34)cc1)ccc2=[NH2+]

InChI Key: InChIKey=AJIRCONJKMEYCR-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 = 50166191   

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))	BDBM50166191 (Bisquinolinium derivative | CHEMBL192631) Show SMILES Clc1ccc2c(c1)n(Cc1ccc(cc1)-c1ccc(Cn3ccc(=[NH2+])c4ccc(Cl)cc34)cc1)ccc2=[NH2+] Show InChI InChI=1S/C32H24Cl2N4/c33-25-9-11-27-29(35)13-15-37(31(27)17-25)19-21-1-5-23(6-2-21)24-7-3-22(4-8-24)20-38-16-14-30(36)28-12-10-26(34)18-32(28)38/h1-18,35-36H,19-20H2/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	6.33E+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