Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' and Ligand = 'BDBM50072681'   

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))	BDBM50072681 (CHEMBL3410030) Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12 Show InChI InChI=1S/C21H19N5O2/c1-13-11-22-20-18(13)19(23-12-24-20)14-7-9-15(10-8-14)25-21(27)26-16-5-3-4-6-17(16)28-2/h3-12H,1-2H3,(H,22,23,24)(H2,25,26,27)	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	283	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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