Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50166178'   

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))	BDBM50166178 (Bisquinolinium derivative | CHEMBL364314) Show SMILES Clc1ccc2c(c1)n(Cc1ccc(cc1)-c1ccc(Cn3ccc(=[N+]4CCCC4)c4ccc(Cl)cc34)cc1)ccc2=[N+]1CCCC1 |(-7.5,-3.8,;-6.2,-2.99,;-6.24,-1.45,;-4.94,-.63,;-3.58,-1.34,;-3.52,-2.88,;-4.83,-3.71,;-2.16,-3.6,;-2.1,-5.14,;-.74,-5.86,;-.02,-7.21,;1.52,-7.25,;2.34,-5.92,;1.59,-4.58,;.07,-4.56,;3.88,-5.95,;4.62,-7.3,;6.14,-7.33,;6.95,-6.02,;8.26,-5.21,;8.23,-3.67,;6.88,-2.94,;6.84,-1.38,;8.16,-.59,;8.12,.95,;9.34,1.88,;8.82,3.34,;7.28,3.3,;6.84,1.82,;9.5,-1.34,;10.82,-.54,;12.16,-1.27,;12.2,-2.81,;13.56,-3.55,;10.9,-3.62,;9.55,-2.88,;6.19,-4.66,;4.66,-4.64,;-.85,-2.78,;-.92,-1.24,;-2.28,-.52,;-2.35,1.02,;-3.63,1.86,;-3.21,3.35,;-1.67,3.41,;-1.14,1.97,)| Show InChI InChI=1S/C40H38Cl2N4/c41-33-13-15-35-37(43-19-1-2-20-43)17-23-45(39(35)25-33)27-29-5-9-31(10-6-29)32-11-7-30(8-12-32)28-46-24-18-38(44-21-3-4-22-44)36-16-14-34(42)26-40(36)46/h5-18,23-26H,1-4,19-22,27-28H2/q+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	1.98E+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
					More data for this Ligand-Target Pair