Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' and Ligand = 'BDBM50072663'   

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))	BDBM50072663 (CHEMBL3410027) Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2OCCN(C)C)-c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C28H33N7O3/c1-17(2)32-27(36)20-7-6-8-21(13-20)33-28(37)34-22-10-9-19(14-23(22)38-12-11-35(4)5)25-24-18(3)15-29-26(24)31-16-30-25/h6-10,13-17H,11-12H2,1-5H3,(H,32,36)(H,29,30,31)(H2,33,34,37)	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	710	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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