Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50054103'   

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))	BDBM50054103 (1,1'-[biphenyl-4,4'-diylbis(methylene)]-bis(4-amin...) Show SMILES [NH2+]=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(=[NH2+])c4ccccc34)cc2)c2ccccc12 Show InChI InChI=1S/C32H26N4/c33-29-17-19-35(31-7-3-1-5-27(29)31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-36-20-18-30(34)28-6-2-4-8-32(28)36/h1-20,33-34H,21-22H2/p+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	8.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Ex vivo inhibitory concentration against human choline kinase				J Med Chem 48: 3354-63 (2005) Article DOI: 10.1021/jm049061o BindingDB Entry DOI: 10.7270/Q2WD403P
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