Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50166203'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Choline kinase alpha (Homo sapiens (Human))	BDBM50166203 (Bisquinolinium derivative | CHEMBL372679) Show SMILES Cc1c(N)ccc2c1n(Cc1ccc(cc1)-c1ccc(Cn3cc\c(=[N+](/C)c4ccccc4)c4ccc(N)c(C)c34)cc1)cc\c2=[N+](\C)c1ccccc1 Show InChI InChI=1S/C48H44N6/c1-33-43(49)25-23-41-45(51(3)39-11-7-5-8-12-39)27-29-53(47(33)41)31-35-15-19-37(20-16-35)38-21-17-36(18-22-38)32-54-30-28-46(52(4)40-13-9-6-10-14-40)42-24-26-44(50)34(2)48(42)54/h5-30,49-50H,31-32H2,1-4H3/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	9.61E+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
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