Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50154650'   

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))	BDBM50154650 (4N-(4-chlorophenyl)-4N-methyl-1-(3-{4-[4-chloro(me...) Show SMILES C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2cccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)c2)cc1 |(1.31,2.77,;2.64,2,;3.97,2.78,;3.97,4.31,;5.3,5.08,;6.63,4.32,;7.98,5.09,;6.65,2.78,;5.33,2,;2.66,.47,;3.97,-.29,;3.97,-1.83,;2.66,-2.6,;2.68,-4.14,;1.34,-4.91,;1.34,-6.45,;,-7.23,;-1.32,-6.45,;-1.32,-4.92,;-2.65,-4.14,;-2.65,-2.6,;-3.99,-1.83,;-3.99,-.29,;-2.65,.49,;-1.32,-.29,;-1.31,-1.83,;-2.66,2.02,;-1.35,2.8,;-4.01,2.77,;-4.01,4.31,;-5.34,5.06,;-6.65,4.27,;-8,5.06,;-6.63,2.75,;-5.31,2,;,-4.14,;1.34,-1.85,;1.33,-.29,)| Show InChI InChI=1S/C32H30Cl2N4/c1-35(29-10-6-27(33)7-11-29)31-14-18-37(19-15-31)23-25-4-3-5-26(22-25)24-38-20-16-32(17-21-38)36(2)30-12-8-28(34)9-13-30/h3-22H,23-24H2,1-2H3/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	7.20E+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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