Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50166206'   

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))	BDBM50166206 (Bisquinolinium derivative | CHEMBL365345) Show SMILES Cc1cn(Cc2cccc(c2)-c2cccc(Cn3cc(C)c(=[NH2+])c4ccccc34)c2)c2ccccc2c1=[NH2+] Show InChI InChI=1S/C34H30N4/c1-23-19-37(31-15-5-3-13-29(31)33(23)35)21-25-9-7-11-27(17-25)28-12-8-10-26(18-28)22-38-20-24(2)34(36)30-14-4-6-16-32(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	1.19E+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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