Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50074643'   

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))	BDBM50074643 (CHEMBL264293 | R-K-K-Y-K-A-R-R-K-NH2) Show SMILES 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/C54H101N23O10/c1-32(44(80)72-40(18-11-29-68-53(63)64)49(85)75-41(19-12-30-69-54(65)66)47(83)71-36(43(60)79)14-2-6-24-55)70-46(82)37(15-3-7-25-56)76-51(87)42(31-33-20-22-34(78)23-21-33)77-50(86)39(17-5-9-27-58)74-48(84)38(16-4-8-26-57)73-45(81)35(59)13-10-28-67-52(61)62/h20-23,32,35-42,78H,2-19,24-31,55-59H2,1H3,(H2,60,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H,74,84)(H,75,85)(H,76,87)(H,77,86)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,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	420	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