Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50166195'   

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))	BDBM50166195 (Bisquinolinium derivative | CHEMBL372473) Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[N+](C)C)c5ccc(Cl)cc45)cc3)cc2)c2cc(Cl)ccc12 |(-.91,2.29,;.45,1.58,;1.76,2.39,;.52,.04,;1.87,-.68,;1.94,-2.22,;.64,-3.04,;.7,-4.58,;2.06,-5.3,;2.87,-4,;4.39,-4.02,;5.14,-5.36,;6.68,-5.4,;7.42,-6.75,;8.96,-6.77,;9.73,-5.47,;11.27,-5.49,;12.02,-6.84,;13.34,-6.04,;13.3,-4.5,;11.95,-3.76,;11.93,-2.22,;13.23,-1.42,;13.2,.12,;14.52,.93,;11.86,.86,;14.59,-2.15,;15.89,-1.36,;17.24,-2.1,;17.29,-3.64,;18.64,-4.37,;15.98,-4.44,;14.62,-3.69,;11.23,-8.16,;9.69,-8.12,;4.32,-6.69,;2.78,-6.66,;-.72,-2.32,;-2.03,-3.15,;-3.4,-2.43,;-4.7,-3.24,;-3.44,-.89,;-2.14,-.05,;-.79,-.78,)| Show InChI InChI=1S/C38H38Cl2N4/c1-41(2)35-19-21-43(37-23-31(39)15-17-33(35)37)25-29-11-7-27(8-12-29)5-6-28-9-13-30(14-10-28)26-44-22-20-36(42(3)4)34-18-16-32(40)24-38(34)44/h7-24H,5-6,25-26H2,1-4H3/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	9.00E+3	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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