Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50074652'   

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))	BDBM50074652 (CHEMBL216528 | R-K-K-Y-K-K-R-R-K-NH2) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)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(N)=O Show InChI InChI=1S/C57H108N24O10/c58-26-6-1-15-38(46(64)83)74-48(85)43(20-12-32-72-56(67)68)78-52(89)44(21-13-33-73-57(69)70)79-50(87)40(17-3-8-28-60)76-51(88)41(18-4-9-29-61)80-54(91)45(34-35-22-24-36(82)25-23-35)81-53(90)42(19-5-10-30-62)77-49(86)39(16-2-7-27-59)75-47(84)37(63)14-11-31-71-55(65)66/h22-25,37-45,82H,1-21,26-34,58-63H2,(H2,64,83)(H,74,85)(H,75,84)(H,76,88)(H,77,86)(H,78,89)(H,79,87)(H,80,91)(H,81,90)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/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	220	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
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