Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50074649'   

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))	BDBM50074649 (CHEMBL262286 | R-K-K-Y-K-N-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](CC(N)=O)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/C55H102N24O11/c56-23-5-1-13-35(44(62)82)72-46(84)39(17-10-28-70-54(65)66)75-48(86)40(18-11-29-71-55(67)68)77-52(90)42(31-43(61)81)79-50(88)38(16-4-8-26-59)76-51(89)41(30-32-19-21-33(80)22-20-32)78-49(87)37(15-3-7-25-58)74-47(85)36(14-2-6-24-57)73-45(83)34(60)12-9-27-69-53(63)64/h19-22,34-42,80H,1-18,23-31,56-60H2,(H2,61,81)(H2,62,82)(H,72,84)(H,73,83)(H,74,85)(H,75,86)(H,76,89)(H,77,90)(H,78,87)(H,79,88)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/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