Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50145939'   

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))	BDBM50145939 (CHEMBL3764767) Show SMILES COc1ccc(cc1)-c1ccc(CN2CCCN(C)CC2)cc1 Show InChI InChI=1S/C20H26N2O/c1-21-12-3-13-22(15-14-21)16-17-4-6-18(7-5-17)19-8-10-20(23-2)11-9-19/h4-11H,3,12-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.43E+3	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))	BDBM50145939 (CHEMBL3764767) Show SMILES COc1ccc(cc1)-c1ccc(CN2CCCN(C)CC2)cc1 Show InChI InChI=1S/C20H26N2O/c1-21-12-3-13-22(15-14-21)16-17-4-6-18(7-5-17)19-8-10-20(23-2)11-9-19/h4-11H,3,12-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.80E+3	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