Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50120589'   

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
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50120589 (CHEMBL3618295) Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(O)cc1 |c:4,t:7| Show InChI InChI=1S/C20H18N2O2S/c1-3-16(24)18-12(2)21-20-22(15-6-4-5-7-17(15)25-20)19(18)13-8-10-14(23)11-9-13/h4-11,19,23H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rashtrasant Tukadoji Maharaj Nagpur University Curated by ChEMBL					Assay Description Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method				Bioorg Med Chem 23: 6689-713 (2015) Article DOI: 10.1016/j.bmc.2015.09.009 BindingDB Entry DOI: 10.7270/Q2P55Q95
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM50120589 (CHEMBL3618295) Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(O)cc1 |c:4,t:7| Show InChI InChI=1S/C20H18N2O2S/c1-3-16(24)18-12(2)21-20-22(15-6-4-5-7-17(15)25-20)19(18)13-8-10-14(23)11-9-13/h4-11,19,23H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.69E+7	n/a	n/a	n/a	n/a	n/a	n/a
Rashtrasant Tukadoji Maharaj Nagpur University Curated by ChEMBL					Assay Description Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method				Bioorg Med Chem 23: 6689-713 (2015) Article DOI: 10.1016/j.bmc.2015.09.009 BindingDB Entry DOI: 10.7270/Q2P55Q95
					More data for this Ligand-Target Pair