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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 = 'BDBM50120601'   
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))
BDBM50120601
PNG
(CHEMBL3618202)
Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(OC)cc2)C1c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C24H27ClN2O5/c1-5-32-23(29)21-15(2)26-24(31-4)27(22(21)17-6-10-18(25)11-7-17)14-20(28)16-8-12-19(30-3)13-9-16/h6-13,22,24,26H,5,14H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.82E+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))
BDBM50120601
PNG
(CHEMBL3618202)
Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(OC)cc2)C1c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C24H27ClN2O5/c1-5-32-23(29)21-15(2)26-24(31-4)27(22(21)17-6-10-18(25)11-7-17)14-20(28)16-8-12-19(30-3)13-9-16/h6-13,22,24,26H,5,14H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5.49E+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