BDBM50074650 CHEMBL412772::R-K-K-Y-K-V-R-R-K-NH2

SMILES: CC(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

InChI Key: InChIKey=UGEATNJYJFZZEN-FSLKYBNLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074650   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50074650 (CHEMBL412772 | R-K-K-Y-K-V-R-R-K-NH2) Show SMILES CC(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/C56H105N23O10/c1-33(2)44(53(89)77-42(20-13-31-71-56(67)68)49(85)75-41(19-12-30-70-55(65)66)47(83)72-37(45(62)81)15-3-7-25-57)79-51(87)40(18-6-10-28-60)76-52(88)43(32-34-21-23-35(80)24-22-34)78-50(86)39(17-5-9-27-59)74-48(84)38(16-4-8-26-58)73-46(82)36(61)14-11-29-69-54(63)64/h21-24,33,36-44,80H,3-20,25-32,57-61H2,1-2H3,(H2,62,81)(H,72,83)(H,73,82)(H,74,84)(H,75,85)(H,76,88)(H,77,89)(H,78,86)(H,79,87)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/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	360	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