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BDBM50015073 CHEMBL174817::butyl 2-(1-{1-[1-(1-amino-2-hydroxyethylcarboxamido)-2-carbamoylethylcarboxamido]-2-methylpropylcarboxamido}-2-phenylethylcarboxamido)propanoate

SMILES: CCCCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(C)C

InChI Key: InChIKey=AOIRCIFSJRZTFK-ZXDAYAIVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015073   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))		BDBM50015073
PNG
(CHEMBL174817 | butyl 2-(1-{1-[1-(1-amino-2-hydroxy...)
Show SMILES CCCCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(C)C
Show InChI InChI=1S/C28H44N6O8/c1-5-6-12-42-28(41)17(4)31-25(38)20(13-18-10-8-7-9-11-18)33-27(40)23(16(2)3)34-26(39)21(14-22(30)36)32-24(37)19(29)15-35/h7-11,16-17,19-21,23,35H,5-6,12-15,29H2,1-4H3,(H2,30,36)(H,31,38)(H,32,37)(H,33,40)(H,34,39)/t17-,19-,20-,21-,23-/m0/s1
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Similars
PubMed
n/an/a 1.85E+5n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Inhibition of calmodulin-independent form of myosin light chain kinase isolated from chicken gizzard.

J Med Chem 33: 964-72 (1990)


BindingDB Entry DOI: 10.7270/Q21N803V
More data for this
Ligand-Target Pair