BDBM50015070 CHEMBL426400::benzyl 2-[1-{1-[1-(1-amino-2-hydroxyethylcarboxamido)-2-carbamoylethylcarboxamido]-2-methylpropylcarboxamido}-2-(4-hydroxy-3-iodophenyl)ethylcarboxamido]propanoate

SMILES: CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1

InChI Key: InChIKey=MWKZPFQHDOBJHV-YWCOHWSJSA-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 = 50015070   

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))	BDBM50015070 (CHEMBL426400 | benzyl 2-[1-{1-[1-(1-amino-2-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C31H41IN6O9/c1-16(2)26(38-29(44)23(13-25(34)41)36-27(42)21(33)14-39)30(45)37-22(12-19-9-10-24(40)20(32)11-19)28(43)35-17(3)31(46)47-15-18-7-5-4-6-8-18/h4-11,16-17,21-23,26,39-40H,12-15,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,42)(H,37,45)(H,38,44)/t17-,21-,22-,23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Curated by ChEMBL					Assay Description Inhibition of native form of chicken MLCK (myosin light chain kinase)				J Med Chem 33: 964-72 (1990) BindingDB Entry DOI: 10.7270/Q21N803V
					More data for this Ligand-Target Pair