Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50154653'   

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))	BDBM50154653 (4N-(4-chlorophenyl)-4N-methyl-1-[3-(3-{4-[4-chloro...) Show SMILES C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)c2)cc1 |(-11.11,.84,;-9.76,1.56,;-9.69,3.08,;-8.32,3.8,;-8.27,5.35,;-9.57,6.15,;-9.52,7.69,;-10.93,5.43,;-10.99,3.9,;-8.44,.72,;-7.09,1.44,;-5.77,.62,;-5.83,-.92,;-4.29,-.9,;-3.51,-2.23,;-4.27,-3.55,;-3.51,-4.9,;-1.97,-4.9,;-1.2,-3.55,;-1.97,-2.23,;.35,-3.55,;1.11,-4.9,;2.64,-4.9,;3.43,-3.55,;2.64,-2.23,;3.39,-.88,;4.93,-.88,;5.68,.46,;7.22,.47,;8.02,-.85,;7.25,-2.2,;5.7,-2.2,;9.56,-.85,;10.33,-2.18,;10.3,.47,;11.83,.47,;12.58,1.8,;11.82,3.13,;12.58,4.46,;10.29,3.09,;9.54,1.76,;1.09,-2.23,;-7.19,-1.62,;-8.51,-.8,)| Show InChI InChI=1S/C38H34Cl2N4/c1-41(35-13-9-33(39)10-14-35)37-17-21-43(22-18-37)27-29-5-3-7-31(25-29)32-8-4-6-30(26-32)28-44-23-19-38(20-24-44)42(2)36-15-11-34(40)12-16-36/h3-26H,27-28H2,1-2H3/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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Grenada Curated by ChEMBL					Assay Description Inhibitory activity against human choline kinase enzyme				J Med Chem 47: 5433-40 (2004) Article DOI: 10.1021/jm0496537 BindingDB Entry DOI: 10.7270/Q22V2FM2
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