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Compile Data Set for Download or QSAR

Found 420 hits Enz. Inhib. hit(s) with Target = 'Myosin light chain kinase, smooth muscle'   
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))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3033
PNG
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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n/an/a 5.80E+3n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3049
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-8-6-5-7-16(19)20-22-23(27(34)28-26(22)33)21-17-11-15(35-4)9-10-18(17)30(3)24(21)25(20)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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n/an/a 120n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3048
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-3-methyl-3,...)
Show SMILES CN(C)CC(O)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H24N4O3/c1-28(2)12-14(31)13-30-18-11-7-5-9-16(18)20-22-21(25(32)27-26(22)33)19-15-8-4-6-10-17(15)29(3)23(19)24(20)30/h4-11,14,31H,12-13H2,1-3H3,(H,27,32,33)
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n/an/a 120n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3047
PNG
(4-{19-methoxy-23-methyl-12,14-dioxo-3,13,23-triaza...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O3/c1-29-17-10-9-14(33-2)13-16(17)20-22-21(25(31)28-26(22)32)19-15-7-3-4-8-18(15)30(12-6-5-11-27)24(19)23(20)29/h3-4,7-10,13H,5-6,12H2,1-2H3,(H,28,31,32)
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n/an/a 32n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3046
PNG
(3-{7,19-dimethoxy-23-methyl-12,14-dioxo-3,13,23-tr...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O4/c1-29-17-7-5-13(33-2)11-15(17)19-21-22(26(32)28-25(21)31)20-16-12-14(34-3)6-8-18(16)30(10-4-9-27)24(20)23(19)29/h5-8,11-12H,4,10H2,1-3H3,(H,28,31,32)
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n/an/a 180n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3045
PNG
(3-{19-methoxy-23-methyl-12,14-dioxo-3,13,23-triaza...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-9-8-13(32-2)12-15(16)19-21-20(24(30)27-25(21)31)18-14-6-3-4-7-17(14)29(11-5-10-26)23(18)22(19)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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n/an/a 200n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3044
PNG
(3-{7-methoxy-23-methyl-12,14-dioxo-3,13,23-triazah...)
Show SMILES COc1ccc2n(CCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-7-4-3-6-14(16)18-20-21(25(31)27-24(20)30)19-15-12-13(32-2)8-9-17(15)29(11-5-10-26)23(19)22(18)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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n/an/a 49n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3043
PNG
(3-{23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[1...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H16N4O2/c1-27-15-9-4-2-7-13(15)17-19-20(24(30)26-23(19)29)18-14-8-3-5-10-16(14)28(12-6-11-25)22(18)21(17)27/h2-5,7-10H,6,12H2,1H3,(H,26,29,30)
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n/an/a 55n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3042
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-7-methoxy-3...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-29(2)13-15(32)14-31-21-8-6-5-7-17(21)22-19-12-28-27(33)24(19)23-18-11-16(34-4)9-10-20(18)30(3)25(23)26(22)31/h5-11,15,32H,12-14H2,1-4H3,(H,28,33)
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n/an/a 9.20E+3n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3041
PNG
(23-[3-(dimethylamino)-2-hydroxypropyl]-3-methyl-3,...)
Show SMILES CN(C)CC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-15(31)14-30-20-11-7-5-9-17(20)21-18-12-27-26(32)23(18)22-16-8-4-6-10-19(16)29(3)24(22)25(21)30/h4-11,15,31H,12-14H2,1-3H3,(H,27,32)
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n/an/a 5.50E+3n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3040
PNG
(23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12
Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)
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n/an/a 18n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3039
PNG
(23-[3-(dimethylamino)propyl]-3-methyl-3,13,23-tria...)
Show SMILES CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
Show InChI InChI=1S/C26H26N4O/c1-28(2)13-8-14-30-20-12-7-5-10-17(20)21-18-15-27-26(31)23(18)22-16-9-4-6-11-19(16)29(3)24(22)25(21)30/h4-7,9-12H,8,13-15H2,1-3H3,(H,27,31)
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n/an/a 250n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3038
PNG
(23-[3-(dimethylamino)propyl]-7,19-dihydroxy-3,13,2...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3CNC(=O)c3c3c4cc(O)ccc4[nH]c3c12
Show InChI InChI=1S/C25H24N4O3/c1-28(2)8-3-9-29-19-7-5-14(31)11-16(19)20-17-12-26-25(32)22(17)21-15-10-13(30)4-6-18(15)27-23(21)24(20)29/h4-7,10-11,27,30-31H,3,8-9,12H2,1-2H3,(H,26,32)
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n/an/a 31n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3037
PNG
(23-[3-(dimethylamino)propyl]-7,19-dimethoxy-3,13,2...)
Show SMILES COc1ccc2[nH]c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCCN(C)C)c34)c2c1
Show InChI InChI=1S/C27H28N4O3/c1-30(2)10-5-11-31-21-9-7-16(34-4)13-18(21)22-19-14-28-27(32)24(19)23-17-12-15(33-3)6-8-20(17)29-25(23)26(22)31/h6-9,12-13,29H,5,10-11,14H2,1-4H3,(H,28,32)
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n/an/a 220n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3034
PNG
(3-{7,19-dimethoxy-23-methyl-14-oxo-3,13,23-triazah...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H22N4O3/c1-29-19-7-5-14(32-2)11-16(19)22-23-18(13-28-26(23)31)21-17-12-15(33-3)6-8-20(17)30(10-4-9-27)25(21)24(22)29/h5-8,11-12H,4,10,13H2,1-3H3,(H,28,31)
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n/an/a 1.60E+3n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3035
PNG
(3-{7,19-dihydroxy-23-methyl-14-oxo-3,13,23-triazah...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NCc3c3c4cc(O)ccc4n(CCC#N)c3c12
Show InChI InChI=1S/C24H18N4O3/c1-27-17-5-3-12(29)9-14(17)20-21-16(11-26-24(21)31)19-15-10-13(30)4-6-18(15)28(8-2-7-25)23(19)22(20)27/h3-6,9-10,29-30H,2,8,11H2,1H3,(H,26,31)
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n/an/a 30n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM3036
PNG
(23-[3-(dimethylamino)propyl]-3,13,23-triazahexacyc...)
Show SMILES CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C25H24N4O/c1-28(2)12-7-13-29-19-11-6-4-9-16(19)20-17-14-26-25(30)22(17)21-15-8-3-5-10-18(15)27-23(21)24(20)29/h3-6,8-11,27H,7,12-14H2,1-2H3,(H,26,30)
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n/an/a 390n/an/an/an/a7.230



Tumor Biology Center



Assay Description
The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/j.bmcl.2005.05.116
BindingDB Entry DOI: 10.7270/Q2CF9N8C
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM2580
PNG
(K252a | methyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Show SMILES COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m1/s1
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17n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human myosin light chain kinase


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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20n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50216683
PNG
(1-(5-iodonaphthalen-1-ylsulfonyl)-1,4-diazepane | ...)
Show SMILES Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C15H17IN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
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300n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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1.70E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of MLCK


J Nat Prod 69: 14-7 (2006)


Article DOI: 10.1021/np050229y
BindingDB Entry DOI: 10.7270/Q2FJ2GHF
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50216681
PNG
(1-(5-chloronaphthalen-1-ylsulfonyl)-1,4-diazepane ...)
Show SMILES Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C15H17ClN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
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3.80E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of myosin light chain kinase


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50216681
PNG
(1-(5-chloronaphthalen-1-ylsulfonyl)-1,4-diazepane ...)
Show SMILES Clc1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C15H17ClN2O2S/c16-14-6-1-5-13-12(14)4-2-7-15(13)21(19,20)18-10-3-8-17-9-11-18/h1-2,4-7,17H,3,8-11H2
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3.80E+3n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50375645
PNG
(CHEMBL219301)
Show SMILES NCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C12H13ClN2O2S/c13-11-5-1-4-10-9(11)3-2-6-12(10)18(16,17)15-8-7-14/h1-6,15H,7-8,14H2
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7.40E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of myosin light chain kinase


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
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1.01E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity at MLCK


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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2.83E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity at MLCK


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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2.83E+4n/an/an/an/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory constant against MLCK


J Biol Chem 271: 26157-64 (1996)


Article DOI: 10.1074/jbc.271.42.26157
BindingDB Entry DOI: 10.7270/Q2BR8T3M
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM15210
PNG
(CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...)
Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3
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6.80E+4n/an/an/an/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory constant against MLCK


J Biol Chem 271: 26157-64 (1996)


Article DOI: 10.1074/jbc.271.42.26157
BindingDB Entry DOI: 10.7270/Q2BR8T3M
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50366348
PNG
(CHEMBL1233654)
Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m0/s1
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9.70E+4n/an/an/an/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory constant against MLCK


J Biol Chem 271: 26157-64 (1996)


Article DOI: 10.1074/jbc.271.42.26157
BindingDB Entry DOI: 10.7270/Q2BR8T3M
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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1.10E+5n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50216680
PNG
(1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine |...)
Show SMILES NC(N)=NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)
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1.50E+5n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity at MLCK


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50430297
PNG
(CHEMBL2333436)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
Show InChI InChI=1S/C20H21N3O2S/c1-4-14-6-8-15(9-7-14)16-10-11-18-17(12-16)20-19(13-21-23(20)5-2)26(24,25)22(18)3/h6-13H,4-5H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MLCK (unknown origin) using [gamma-33P]ATP


Eur J Med Chem 61: 49-60 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MLCK (unknown origin) using [gamma-33P]ATP


Eur J Med Chem 61: 49-60 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM25118
PNG
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
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n/an/an/a 3.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/an/a 2.10E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/an/a 2.90E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a 1.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
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n/an/an/a 2.00E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 3.60E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 1.50E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
MYLK


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 2.80E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V40SMB
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM104065
PNG
(HS38)
Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)
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PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Duke University Medical Center



Assay Description
HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...


ACS Chem Biol 8: 2715-23 (2013)


Article DOI: 10.1021/cb400407c
BindingDB Entry DOI: 10.7270/Q24B2ZXR
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity against myosin light-chain kinase from chicken gizzard (M-kinase)


Bioorg Med Chem Lett 3: 1959-1964 (1993)


Article DOI: 10.1016/S0960-894X(01)80995-1
BindingDB Entry DOI: 10.7270/Q2QC03DJ
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM3044
PNG
(3-{7-methoxy-23-methyl-12,14-dioxo-3,13,23-triazah...)
Show SMILES COc1ccc2n(CCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-7-4-3-6-14(16)18-20-21(25(31)27-24(20)30)19-15-12-13(32-2)8-9-17(15)29(11-5-10-26)23(19)22(18)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q26W9B1F
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM3046
PNG
(3-{7,19-dimethoxy-23-methyl-12,14-dioxo-3,13,23-tr...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H20N4O4/c1-29-17-7-5-13(33-2)11-15(17)19-21-22(26(32)28-25(21)31)20-16-12-14(34-3)6-8-18(16)30(10-4-9-27)24(20)23(19)29/h5-8,11-12H,4,10H2,1-3H3,(H,28,31,32)
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q26W9B1F
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM3034
PNG
(3-{7,19-dimethoxy-23-methyl-14-oxo-3,13,23-triazah...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C26H22N4O3/c1-29-19-7-5-14(32-2)11-16(19)22-23-18(13-28-26(23)31)21-17-12-15(33-3)6-8-20(17)30(10-4-9-27)25(21)24(22)29/h5-8,11-12H,4,10,13H2,1-3H3,(H,28,31)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q26W9B1F
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM3045
PNG
(3-{19-methoxy-23-methyl-12,14-dioxo-3,13,23-triaza...)
Show SMILES COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCC#N)c34)c2c1
Show InChI InChI=1S/C25H18N4O3/c1-28-16-9-8-13(32-2)12-15(16)19-21-20(24(30)27-25(21)31)18-14-6-3-4-7-17(14)29(11-5-10-26)23(18)22(19)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)
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n/an/a 49n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q26W9B1F
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM3036
PNG
(23-[3-(dimethylamino)propyl]-3,13,23-triazahexacyc...)
Show SMILES CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C25H24N4O/c1-28(2)12-7-13-29-19-11-6-4-9-16(19)20-17-14-26-25(30)22(17)21-15-8-3-5-10-18(15)27-23(21)24(20)29/h3-6,8-11,27H,7,12-14H2,1-2H3,(H,26,30)
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n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q26W9B1F
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50284317
PNG
(3-(9-methoxy-13-methyl-5,7-dioxo-6,7,12,13-tetrahy...)
Show SMILES COc1ccc2n(CCCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C26H20N4O3/c1-29-17-8-4-3-7-15(17)19-21-22(26(32)28-25(21)31)20-16-13-14(33-2)9-10-18(16)30(12-6-5-11-27)24(20)23(19)29/h3-4,7-10,13H,5-6,12H2,1-2H3,(H,28,31,32)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Bioorg Med Chem Lett 5: 55-60 (1995)


Article DOI: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q26W9B1F
More data for this
Ligand-Target Pair
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