Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50166182'   

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))	BDBM50166182 (Bisquinolinium derivative | CHEMBL192874) Show SMILES C(c1ccc(cc1)-c1ccc(Cn2cc\c(=[NH+]/c3ccccc3)c3ccccc23)cc1)n1cc\c(=[NH+]\c2ccccc2)c2ccccc12 Show InChI InChI=1S/C44H34N4/c1-3-11-37(12-4-1)45-41-27-29-47(43-17-9-7-15-39(41)43)31-33-19-23-35(24-20-33)36-25-21-34(22-26-36)32-48-30-28-42(40-16-8-10-18-44(40)48)46-38-13-5-2-6-14-38/h1-30H,31-32H2/p+2/b45-41-,46-42+	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	1.78E+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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