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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle' and Ligand = 'BDBM50120600'   
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


(Homo sapiens (Human))
BDBM50120600
PNG
(CHEMBL550608)
Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(Cl)cc2)C1c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C23H24Cl2N2O4/c1-4-31-22(29)20-14(2)26-23(30-3)27(21(20)16-7-11-18(25)12-8-16)13-19(28)15-5-9-17(24)10-6-15/h5-12,21,23,26H,4,13H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.13E+4n/an/an/an/an/an/a



Rashtrasant Tukadoji Maharaj Nagpur University

Curated by ChEMBL


Assay Description
Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method


Bioorg Med Chem 23: 6689-713 (2015)


Article DOI: 10.1016/j.bmc.2015.09.009
BindingDB Entry DOI: 10.7270/Q2P55Q95
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50120600
PNG
(CHEMBL550608)
Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(Cl)cc2)C1c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C23H24Cl2N2O4/c1-4-31-22(29)20-14(2)26-23(30-3)27(21(20)16-7-11-18(25)12-8-16)13-19(28)15-5-9-17(24)10-6-15/h5-12,21,23,26H,4,13H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.42E+6n/an/an/an/an/an/a



Rashtrasant Tukadoji Maharaj Nagpur University

Curated by ChEMBL


Assay Description
Inhibition of MLCK (unknown origin) incubated for 15 mins using [gamma-32P]-ATP by scintillation counting method


Bioorg Med Chem 23: 6689-713 (2015)


Article DOI: 10.1016/j.bmc.2015.09.009
BindingDB Entry DOI: 10.7270/Q2P55Q95
More data for this
Ligand-Target Pair