Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50154645'   

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))	BDBM50154645 (4-tetrahydro-1H-1-pyrrolyl-1-[3-(4-tetrahydro-1H-1...) Show SMILES C(c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1 |(-2.65,-3.2,;-1.32,-3.97,;-1.32,-5.51,;.01,-6.28,;1.34,-5.51,;1.34,-3.97,;2.68,-3.2,;2.67,-1.66,;4,-.89,;4,.65,;2.64,1.42,;1.33,.65,;1.33,-.91,;2.64,2.96,;3.88,3.87,;3.41,5.31,;1.87,5.31,;1.38,3.85,;.01,-3.2,;-2.65,-1.66,;-1.31,-.89,;-1.32,.65,;-2.66,1.42,;-4.01,.65,;-4.01,-.89,;-2.66,2.96,;-3.91,3.87,;-3.45,5.32,;-1.91,5.34,;-1.42,3.87,)| Show InChI InChI=1S/C26H32N4/c1-2-13-29(12-1)25-8-16-27(17-9-25)21-23-6-5-7-24(20-23)22-28-18-10-26(11-19-28)30-14-3-4-15-30/h5-11,16-20H,1-4,12-15,21-22H2/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	8.42E+4	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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