Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50166190'   

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))	BDBM50166190 (Bisquinolinium derivative | CHEMBL191818) Show SMILES Clc1ccc2c(c1)n(Cc1cccc(c1)-c1cccc(Cn3ccc(=[NH2+])c4ccc(Cl)cc34)c1)ccc2=[NH2+] Show InChI InChI=1S/C32H24Cl2N4/c33-25-7-9-27-29(35)11-13-37(31(27)17-25)19-21-3-1-5-23(15-21)24-6-2-4-22(16-24)20-38-14-12-30(36)28-10-8-26(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	2.06E+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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