Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' and Ligand = 'BDBM50072676'   

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
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50072676 (CHEMBL1951441) Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc(N)n2)c1 Show InChI InChI=1S/C21H22N6O2/c1-13(2)24-19(28)15-4-3-5-17(12-15)26-21(29)25-16-8-6-14(7-9-16)18-10-11-23-20(22)27-18/h3-13H,1-2H3,(H,24,28)(H2,22,23,27)(H2,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of human Limk1 using cofilin substrate, ATP and [gamma33P]ATP				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
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