Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50146003'   

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))	BDBM50146003 (CHEMBL3763453) Show SMILES CN1CCCN(Cc2ccc(cc2)-c2cc(F)c(CN3CCCN(C)CC3)c(F)c2)CC1 Show InChI InChI=1S/C26H36F2N4/c1-29-9-3-11-31(15-13-29)19-21-5-7-22(8-6-21)23-17-25(27)24(26(28)18-23)20-32-12-4-10-30(2)14-16-32/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3	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	255	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal truncated ChoKalpha1 (75 to 457 residues) using choline chloride as substrate measured over 10 to 30 mins by coupled A...				J Med Chem 59: 671-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01552 BindingDB Entry DOI: 10.7270/Q23X88HX
					More data for this Ligand-Target Pair
Choline kinase alpha (Homo sapiens (Human))	BDBM50146003 (CHEMBL3763453) Show SMILES CN1CCCN(Cc2ccc(cc2)-c2cc(F)c(CN3CCCN(C)CC3)c(F)c2)CC1 Show InChI InChI=1S/C26H36F2N4/c1-29-9-3-11-31(15-13-29)19-21-5-7-22(8-6-21)23-17-25(27)24(26(28)18-23)20-32-12-4-10-30(2)14-16-32/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3	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	n/a	259	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay				J Med Chem 59: 671-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01552 BindingDB Entry DOI: 10.7270/Q23X88HX
					More data for this Ligand-Target Pair