BDBM50166209 Bisquinolinium derivative::CHEMBL364075

SMILES: Cc1cn(Cc2ccc(cc2)-c2ccc(Cn3cc(C)c(=[NH2+])c4ccccc34)cc2)c2ccccc2c1=[NH2+]

InChI Key: InChIKey=XBSIWAIKRHWQAY-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 = 50166209   

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))	BDBM50166209 (Bisquinolinium derivative | CHEMBL364075) Show SMILES Cc1cn(Cc2ccc(cc2)-c2ccc(Cn3cc(C)c(=[NH2+])c4ccccc34)cc2)c2ccccc2c1=[NH2+] Show InChI InChI=1S/C34H30N4/c1-23-19-37(31-9-5-3-7-29(31)33(23)35)21-25-11-15-27(16-12-25)28-17-13-26(14-18-28)22-38-20-24(2)34(36)30-8-4-6-10-32(30)38/h3-20,35-36H,21-22H2,1-2H3/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