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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
(Institution)
LigandTarget
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))
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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n/an/a 0.0200n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard


Citation and Details
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/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.


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50058332
PNG
(CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...)
Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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
Tested for inhibition of Myosin light chain kinase from chicken gizzard


Citation and Details
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)


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM92455
PNG
(CHEMBL265470 | STO-609)
Show SMILES OC(=O)c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23
Show InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity at MLCK


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
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.


Citation and Details
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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n/an/a 22n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Myosin light chain kinase 1 (MLCK1)


Bioorg Med Chem Lett 12: 2829-31 (2002)

More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50118955
PNG
(CHEMBL94678 | Compound K-252a(epi))
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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n/an/a 25n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Myosin light chain kinase 1 (MLCK1)


Bioorg Med Chem Lett 12: 2829-31 (2002)

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.


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
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.


Citation and Details
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.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074653
PNG
(CHEMBL385812 | R-K-K-Y-(Ach)-Y-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCC(CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C61H104N22O11/c62-28-4-1-11-43(50(66)86)77-53(89)46(14-8-32-74-60(69)70)80-55(91)47(15-9-33-75-61(71)72)81-58(94)49(35-37-18-26-41(85)27-19-37)82-51(87)38-20-22-39(23-21-38)76-57(93)48(34-36-16-24-40(84)25-17-36)83-56(92)45(13-3-6-30-64)79-54(90)44(12-2-5-29-63)78-52(88)42(65)10-7-31-73-59(67)68/h16-19,24-27,38-39,42-49,84-85H,1-15,20-23,28-35,62-65H2,(H2,66,86)(H,76,93)(H,77,89)(H,78,88)(H,79,90)(H,80,91)(H,81,94)(H,82,87)(H,83,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t38?,39?,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
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


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074638
PNG
(CHEMBL443574 | R-K-K-Y-K-Y-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C60H105N23O11/c61-27-5-1-13-41(49(66)86)76-51(88)45(17-10-32-74-59(69)70)79-53(90)46(18-11-33-75-60(71)72)81-57(94)48(35-37-21-25-39(85)26-22-37)83-55(92)44(16-4-8-30-64)80-56(93)47(34-36-19-23-38(84)24-20-36)82-54(91)43(15-3-7-29-63)78-52(89)42(14-2-6-28-62)77-50(87)40(65)12-9-31-73-58(67)68/h19-26,40-48,84-85H,1-18,27-35,61-65H2,(H2,66,86)(H,76,88)(H,77,87)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,83,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50280875
PNG
(3-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)
Show SMILES NC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H18N4O2/c24-17(28)9-10-27-16-8-4-2-6-13(16)18-14-11-25-23(29)20(14)19-12-5-1-3-7-15(12)26-21(19)22(18)27/h1-8,26H,9-11H2,(H2,24,28)(H,25,29)
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n/an/a 82n/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)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074648
PNG
(CHEMBL268790 | R-K-K-Y-(Ach)-(Ach)-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(CC1)NC(=O)C1CCC(CC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C59H106N22O10/c60-28-4-1-11-42(48(64)83)76-52(87)46(15-9-33-73-59(69)70)80-54(89)45(14-8-32-72-58(67)68)77-50(85)37-20-22-38(23-21-37)74-49(84)36-18-24-39(25-19-36)75-56(91)47(34-35-16-26-40(82)27-17-35)81-55(90)44(13-3-6-30-62)79-53(88)43(12-2-5-29-61)78-51(86)41(63)10-7-31-71-57(65)66/h16-17,26-27,36-39,41-47,82H,1-15,18-25,28-34,60-63H2,(H2,64,83)(H,74,84)(H,75,91)(H,76,87)(H,77,85)(H,78,86)(H,79,88)(H,80,89)(H,81,90)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36?,37?,38?,39?,41-,42-,43-,44-,45-,46-,47-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074635
PNG
(CHEMBL425624 | R-K-K-Y-K-P-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C56H103N23O10/c57-25-5-1-14-37(45(62)81)72-47(83)40(18-10-30-70-55(65)66)75-49(85)41(19-11-31-71-56(67)68)76-52(88)44-20-12-32-79(44)53(89)42(17-4-8-28-60)77-51(87)43(33-34-21-23-35(80)24-22-34)78-50(86)39(16-3-7-27-59)74-48(84)38(15-2-6-26-58)73-46(82)36(61)13-9-29-69-54(63)64/h21-24,36-44,80H,1-20,25-33,57-61H2,(H2,62,81)(H,72,83)(H,73,82)(H,74,84)(H,75,85)(H,76,88)(H,77,87)(H,78,86)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM50284318
PNG
(13-(3-dimethylamino-2-hydroxypropyl)-3-methoxy-12-...)
Show SMILES COc1ccc2n(CC(O)CN(C)C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
Show InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-10-9-15(35-4)11-17(19)21-23-22(26(33)28-27(23)34)20-16-7-5-6-8-18(16)30(3)24(20)25(21)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074657
PNG
(CHEMBL267348 | R-K-K-Y-K-S-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C54H101N23O11/c55-23-5-1-13-35(43(60)80)70-45(82)39(17-10-28-68-53(63)64)73-47(84)40(18-11-29-69-54(65)66)75-51(88)42(31-78)77-49(86)38(16-4-8-26-58)74-50(87)41(30-32-19-21-33(79)22-20-32)76-48(85)37(15-3-7-25-57)72-46(83)36(14-2-6-24-56)71-44(81)34(59)12-9-27-67-52(61)62/h19-22,34-42,78-79H,1-18,23-31,55-59H2,(H2,60,80)(H,70,82)(H,71,81)(H,72,83)(H,73,84)(H,74,87)(H,75,88)(H,76,85)(H,77,86)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074644
PNG
(CHEMBL409544 | R-K-K-Y-K-F-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C60H105N23O10/c61-28-8-4-18-41(49(66)85)76-51(87)45(22-13-33-74-59(69)70)79-53(89)46(23-14-34-75-60(71)72)81-56(92)47(35-37-15-2-1-3-16-37)82-55(91)44(21-7-11-31-64)80-57(93)48(36-38-24-26-39(84)27-25-38)83-54(90)43(20-6-10-30-63)78-52(88)42(19-5-9-29-62)77-50(86)40(65)17-12-32-73-58(67)68/h1-3,15-16,24-27,40-48,84H,4-14,17-23,28-36,61-65H2,(H2,66,85)(H,76,87)(H,77,86)(H,78,88)(H,79,89)(H,80,93)(H,81,92)(H,82,91)(H,83,90)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074642
PNG
(CHEMBL262895 | R-K-K-Y-K-I-R-R-K-NH2)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C57H107N23O10/c1-3-34(2)45(54(90)78-43(21-14-32-72-57(68)69)50(86)76-42(20-13-31-71-56(66)67)48(84)73-38(46(63)82)16-4-8-26-58)80-52(88)41(19-7-11-29-61)77-53(89)44(33-35-22-24-36(81)25-23-35)79-51(87)40(18-6-10-28-60)75-49(85)39(17-5-9-27-59)74-47(83)37(62)15-12-30-70-55(64)65/h22-25,34,37-45,81H,3-21,26-33,58-62H2,1-2H3,(H2,63,82)(H,73,84)(H,74,83)(H,75,85)(H,76,86)(H,77,89)(H,78,90)(H,79,87)(H,80,88)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t34-,37+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074637
PNG
(CHEMBL265891 | R-K-K-Y-K-M-R-R-K-NH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C56H105N23O10S/c1-90-32-24-43(52(88)76-42(19-12-31-71-56(67)68)50(86)75-41(18-11-30-70-55(65)66)47(83)72-37(45(62)81)14-2-6-25-57)78-49(85)39(16-4-8-27-59)77-53(89)44(33-34-20-22-35(80)23-21-34)79-51(87)40(17-5-9-28-60)74-48(84)38(15-3-7-26-58)73-46(82)36(61)13-10-29-69-54(63)64/h20-23,36-44,80H,2-19,24-33,57-61H2,1H3,(H2,62,81)(H,72,83)(H,73,82)(H,74,84)(H,75,86)(H,76,88)(H,77,89)(H,78,85)(H,79,87)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 170n/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


Citation and Details
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


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074639
PNG
(CHEMBL404932 | R-K-K-Y-K-W-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C62H106N24O10/c63-27-7-3-17-43(51(68)88)79-53(90)47(21-12-32-76-61(71)72)82-55(92)48(22-13-33-77-62(73)74)84-59(96)50(35-38-36-78-42-16-2-1-14-40(38)42)86-57(94)46(20-6-10-30-66)83-58(95)49(34-37-23-25-39(87)26-24-37)85-56(93)45(19-5-9-29-65)81-54(91)44(18-4-8-28-64)80-52(89)41(67)15-11-31-75-60(69)70/h1-2,14,16,23-26,36,41,43-50,78,87H,3-13,15,17-22,27-35,63-67H2,(H2,68,88)(H,79,90)(H,80,89)(H,81,91)(H,82,92)(H,83,95)(H,84,96)(H,85,93)(H,86,94)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
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.


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074652
PNG
(CHEMBL216528 | R-K-K-Y-K-K-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C57H108N24O10/c58-26-6-1-15-38(46(64)83)74-48(85)43(20-12-32-72-56(67)68)78-52(89)44(21-13-33-73-57(69)70)79-50(87)40(17-3-8-28-60)76-51(88)41(18-4-9-29-61)80-54(91)45(34-35-22-24-36(82)25-23-35)81-53(90)42(19-5-10-30-62)77-49(86)39(16-2-7-27-59)75-47(84)37(63)14-11-31-71-55(65)66/h22-25,37-45,82H,1-21,26-34,58-63H2,(H2,64,83)(H,74,85)(H,75,84)(H,76,88)(H,77,86)(H,78,89)(H,79,87)(H,80,91)(H,81,90)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of chicken SmMLCK expressed in Escherichia coli


Biochem J 351: 95-105 (2001)

More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074646
PNG
(CHEMBL415435 | R-K-K-Y-K-(Ach)-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C58H107N23O10/c59-27-5-1-13-40(47(64)83)75-51(87)45(18-11-33-73-58(69)70)79-53(89)44(17-10-32-72-57(67)68)76-48(84)36-21-23-37(24-22-36)74-50(86)41(14-2-6-28-60)80-55(91)46(34-35-19-25-38(82)26-20-35)81-54(90)43(16-4-8-30-62)78-52(88)42(15-3-7-29-61)77-49(85)39(63)12-9-31-71-56(65)66/h19-20,25-26,36-37,39-46,82H,1-18,21-24,27-34,59-63H2,(H2,64,83)(H,74,86)(H,75,87)(H,76,84)(H,77,85)(H,78,88)(H,79,89)(H,80,91)(H,81,90)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36?,37?,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074645
PNG
(CHEMBL265875 | R-K-K-Y-K-H-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C57H103N25O10/c58-23-5-1-13-38(46(63)84)75-48(86)42(17-10-28-72-56(66)67)78-50(88)43(18-11-29-73-57(68)69)80-54(92)45(31-35-32-70-33-74-35)82-52(90)41(16-4-8-26-61)79-53(91)44(30-34-19-21-36(83)22-20-34)81-51(89)40(15-3-7-25-60)77-49(87)39(14-2-6-24-59)76-47(85)37(62)12-9-27-71-55(64)65/h19-22,32-33,37-45,83H,1-18,23-31,58-62H2,(H2,63,84)(H,70,74)(H,75,86)(H,76,85)(H,77,87)(H,78,88)(H,79,91)(H,80,92)(H,81,89)(H,82,90)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074649
PNG
(CHEMBL262286 | R-K-K-Y-K-N-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C55H102N24O11/c56-23-5-1-13-35(44(62)82)72-46(84)39(17-10-28-70-54(65)66)75-48(86)40(18-11-29-71-55(67)68)77-52(90)42(31-43(61)81)79-50(88)38(16-4-8-26-59)76-51(89)41(30-32-19-21-33(80)22-20-32)78-49(87)37(15-3-7-25-58)74-47(85)36(14-2-6-24-57)73-45(83)34(60)12-9-27-69-53(63)64/h19-22,34-42,80H,1-18,23-31,56-60H2,(H2,61,81)(H2,62,82)(H,72,84)(H,73,83)(H,74,85)(H,75,86)(H,76,89)(H,77,90)(H,78,87)(H,79,88)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074655
PNG
(CHEMBL264533 | R-K-K-Y-K-Q-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C56H104N24O11/c57-25-5-1-13-36(45(63)83)73-47(85)40(17-10-30-71-55(66)67)76-50(88)41(18-11-31-72-56(68)69)77-52(90)42(23-24-44(62)82)79-49(87)38(15-3-7-27-59)78-53(91)43(32-33-19-21-34(81)22-20-33)80-51(89)39(16-4-8-28-60)75-48(86)37(14-2-6-26-58)74-46(84)35(61)12-9-29-70-54(64)65/h19-22,35-43,81H,1-18,23-32,57-61H2,(H2,62,82)(H2,63,83)(H,73,85)(H,74,84)(H,75,86)(H,76,88)(H,77,90)(H,78,91)(H,79,87)(H,80,89)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


Citation and Details
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50074651
PNG
(CHEMBL262494 | R-K-K-Y-K-G-R-R-K-NH2)
Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C53H99N23O10/c54-23-5-1-13-35(43(59)79)71-47(83)40(18-11-29-68-53(64)65)75-46(82)37(17-10-28-67-52(62)63)70-42(78)31-69-45(81)36(14-2-6-24-55)73-50(86)41(30-32-19-21-33(77)22-20-32)76-49(85)39(16-4-8-26-57)74-48(84)38(15-3-7-25-56)72-44(80)34(58)12-9-27-66-51(60)61/h19-22,34-41,77H,1-18,23-31,54-58H2,(H2,59,79)(H,69,81)(H,70,78)(H,71,83)(H,72,80)(H,73,86)(H,74,84)(H,75,82)(H,76,85)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)


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Ligand-Target Pair
SM myosin light chain kinase (smMLCK)


(Homo sapiens)
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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antibodypedia
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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Ligand-Target Pair
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