Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' and Ligand = 'BDBM50072665'   

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))	BDBM50072665 (CHEMBL3410040) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12 Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-6-8-16(9-7-15)27-22(30)28(10-11-29)18-5-3-2-4-17(18)23/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)	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	58	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
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Rattus norvegicus)	BDBM50072665 (CHEMBL3410040) Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12 Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-6-8-16(9-7-15)27-22(30)28(10-11-29)18-5-3-2-4-17(18)23/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method				J Med Chem 58: 1846-61 (2015) Article DOI: 10.1021/jm501680m BindingDB Entry DOI: 10.7270/Q2K64KRC
					More data for this Ligand-Target Pair