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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50369485'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50369485
PNG
(CHEMBL1791266)
Show SMILES [#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C55H103N23O11/c1-32(79)43(52(89)76-41(19-12-30-70-55(66)67)48(85)74-40(18-11-29-69-54(64)65)46(83)71-36(44(61)81)14-2-6-24-56)78-50(87)39(17-5-9-27-59)75-51(88)42(31-33-20-22-34(80)23-21-33)77-49(86)38(16-4-8-26-58)73-47(84)37(15-3-7-25-57)72-45(82)35(60)13-10-28-68-53(62)63/h20-23,32,35-43,79-80H,2-19,24-31,56-60H2,1H3,(H2,61,81)(H,71,83)(H,72,82)(H,73,84)(H,74,85)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/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