Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50074651'   

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))	BDBM50074651 (CHEMBL262494 | R-K-K-Y-K-G-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)CNC(=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/C53H99N23O10/c54-23-5-1-13-35(43(59)79)71-47(83)40(18-11-29-68-53(64)65)75-46(82)37(17-10-28-67-52(62)63)70-42(78)31-69-45(81)36(14-2-6-24-55)73-50(86)41(30-32-19-21-33(77)22-20-32)76-49(85)39(16-4-8-26-57)74-48(84)38(15-3-7-25-56)72-44(80)34(58)12-9-27-66-51(60)61/h19-22,34-41,77H,1-18,23-31,54-58H2,(H2,59,79)(H,69,81)(H,70,78)(H,71,83)(H,72,80)(H,73,86)(H,74,84)(H,75,82)(H,76,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t34-,35-,36-,37-,38-,39-,40-,41-/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	310	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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