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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 = 'BDBM50120604'   
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))
BDBM50120604
PNG
(CHEMBL3618203)
Show SMILES CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccccc1Cl |c:3,t:6|
Show InChI InChI=1S/C19H15ClN2OS/c1-11-17(12(2)23)18(13-7-3-4-8-14(13)20)22-15-9-5-6-10-16(15)24-19(22)21-11/h3-10,18H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9.80E+3n/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))
BDBM50120604
PNG
(CHEMBL3618203)
Show SMILES CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccccc1Cl |c:3,t:6|
Show InChI InChI=1S/C19H15ClN2OS/c1-11-17(12(2)23)18(13-7-3-4-8-14(13)20)22-15-9-5-6-10-16(15)24-19(22)21-11/h3-10,18H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.02E+7n/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