Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50074645'   

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))	BDBM50074645 (CHEMBL265875 | R-K-K-Y-K-H-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](Cc1cnc[nH]1)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/C57H103N25O10/c58-23-5-1-13-38(46(63)84)75-48(86)42(17-10-28-72-56(66)67)78-50(88)43(18-11-29-73-57(68)69)80-54(92)45(31-35-32-70-33-74-35)82-52(90)41(16-4-8-26-61)79-53(91)44(30-34-19-21-36(83)22-20-34)81-51(89)40(15-3-7-25-60)77-49(87)39(14-2-6-24-59)76-47(85)37(62)12-9-27-71-55(64)65/h19-22,32-33,37-45,83H,1-18,23-31,58-62H2,(H2,63,84)(H,70,74)(H,75,86)(H,76,85)(H,77,87)(H,78,88)(H,79,91)(H,80,92)(H,81,89)(H,82,90)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/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	290	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