Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50074636'   

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 (Gallus gallus (chicken))	BDBM50074636 (CHEMBL386668 | R-K-K-Y-K-L-R-R-K-NH2) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O Show InChI InChI=1S/C57H107N23O10/c1-34(2)32-44(53(89)78-43(20-13-31-72-57(68)69)50(86)76-42(19-12-30-71-56(66)67)48(84)73-38(46(63)82)15-3-7-25-58)79-51(87)41(18-6-10-28-61)77-54(90)45(33-35-21-23-36(81)24-22-35)80-52(88)40(17-5-9-27-60)75-49(85)39(16-4-8-26-59)74-47(83)37(62)14-11-29-70-55(64)65/h21-24,34,37-45,81H,3-20,25-33,58-62H2,1-2H3,(H2,63,82)(H,73,84)(H,74,83)(H,75,85)(H,76,86)(H,77,90)(H,78,89)(H,79,87)(H,80,88)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)				J Med Chem 42: 910-9 (1999) Article DOI: 10.1021/jm980573a BindingDB Entry DOI: 10.7270/Q2JS9R4T
					More data for this Ligand-Target Pair