Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' and Ligand = 'BDBM50117315'   

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))	BDBM50117315 (CHEMBL3613600) Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-10-8-24(9-11-30,14-29(2)3)23(32)28-18-7-5-6-17(12-18)22(31)33-4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,28,32)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50117315 (CHEMBL3613600) Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-10-8-24(9-11-30,14-29(2)3)23(32)28-18-7-5-6-17(12-18)22(31)33-4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,28,32)(H,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	27	n/a	n/a	n/a	n/a	n/a	n/a
Amakem Therapeutics N.V. Curated by ChEMBL					Assay Description Inhibition of LIMK1 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 25: 4005-10 (2015) Article DOI: 10.1016/j.bmcl.2015.07.009 BindingDB Entry DOI: 10.7270/Q2T72K7D
					More data for this Ligand-Target Pair