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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 = 'BDBM50120609'   
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))
BDBM50120609
PNG
(CHEMBL558723)
Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccccc2)C1c1ccc(C)cc1 |c:5|
Show InChI InChI=1S/C24H28N2O4/c1-5-30-23(28)21-17(3)25-24(29-4)26(15-20(27)18-9-7-6-8-10-18)22(21)19-13-11-16(2)12-14-19/h6-14,22,24-25H,5,15H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.92E+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))
BDBM50120609
PNG
(CHEMBL558723)
Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccccc2)C1c1ccc(C)cc1 |c:5|
Show InChI InChI=1S/C24H28N2O4/c1-5-30-23(28)21-17(3)25-24(29-4)26(15-20(27)18-9-7-6-8-10-18)22(21)19-13-11-16(2)12-14-19/h6-14,22,24-25H,5,15H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.20E+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