Found 123 hits of ic50 data for polymerid = 5715 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM2579
((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 |r| 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 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM199250
(US9221808, 1bo | US9221808, 1bo-HCl | US9221808, 1...)Show InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center
Curated by ChEMBL
| Assay Description
Inhibition of MLCK1 (unknown origin) |
Medchemcomm 3: 699-709 (2012)
Article DOI: 10.1039/c2md00320a
BindingDB Entry DOI: 10.7270/Q2571G0R |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3040
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM6760
((+)-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 |r| 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 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Myosin light chain kinase 1 (MLCK1) |
Bioorg Med Chem Lett 12: 2829-31 (2002)
BindingDB Entry DOI: 10.7270/Q2Z037H2 |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50118955
(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 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Myosin light chain kinase 1 (MLCK1) |
Bioorg Med Chem Lett 12: 2829-31 (2002)
BindingDB Entry DOI: 10.7270/Q2Z037H2 |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3035
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50284317
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM2579
((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 |r| 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 | PDB
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| n/a | n/a | 43.2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human MLCK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3045
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM2579
((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 |r| 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 | PDB
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| n/a | n/a | 51.3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human MLCK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3043
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3048
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50284318
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| 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 | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3046
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3044
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3037
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3039
(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) | PDB
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Similars
| Article
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50590939
(CHEMBL5174830) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00697
BindingDB Entry DOI: 10.7270/Q2MP5771 |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3038
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50585045
(CHEMBL5093741)Show SMILES CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2 | PDB
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| n/a | n/a | 334 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MYLK (unknown origin) at 1 uM by kinome scan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI: 10.7270/Q2183BDB |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3036
(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) | PDB
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Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50329498
(CHEMBL1271447 | N-(6-benzyl-2-(phenethylamino)-5,6...)Show SMILES O=S(=O)(Nc1nc(NCCc2ccccc2)nc2CCN(Cc3ccccc3)Cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H31N5O2S/c38-40(39,28-16-15-26-13-7-8-14-27(26)21-28)36-31-29-23-37(22-25-11-5-2-6-12-25)20-18-30(29)34-32(35-31)33-19-17-24-9-3-1-4-10-24/h1-16,21H,17-20,22-23H2,(H2,33,34,35,36) | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MLCK |
Bioorg Med Chem Lett 20: 6696-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.005
BindingDB Entry DOI: 10.7270/Q2RJ4JQH |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3034
(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) | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| 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 | PDB
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PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibition of Smooth muscle myosin light chain kinase (mMLCK) |
J Med Chem 46: 1478-83 (2003)
Article DOI: 10.1021/jm020427b
BindingDB Entry DOI: 10.7270/Q2R78FZT |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50101817
(Adalat | Adalat Cc | Afeditab Cr | BAY-A-1040 | CH...)Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC |c:4,9| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 | PDB
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| n/a | n/a | 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120619
(CHEMBL3618287)Show SMILES CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1cccc(c1)[N+]([O-])=O |c:3,t:6| Show InChI InChI=1S/C19H15N3O3S/c1-11-17(12(2)23)18(13-6-5-7-14(10-13)22(24)25)21-15-8-3-4-9-16(15)26-19(21)20-11/h3-10,18H,1-2H3 | PDB
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| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120606
(CHEMBL3618288)Show SMILES CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(cc1)[N+]([O-])=O |c:3,t:6| Show InChI InChI=1S/C19H15N3O3S/c1-11-17(12(2)23)18(13-7-9-14(10-8-13)22(24)25)21-15-5-3-4-6-16(15)26-19(21)20-11/h3-10,18H,1-2H3 | PDB
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| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120591
(CHEMBL3618297)Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1cccc(c1)[N+]([O-])=O |c:4,t:7| Show InChI InChI=1S/C20H17N3O3S/c1-3-16(24)18-12(2)21-20-22(15-9-4-5-10-17(15)27-20)19(18)13-7-6-8-14(11-13)23(25)26/h4-11,19H,3H2,1-2H3 | PDB
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120620
(CHEMBL3618286)Show SMILES COc1ccc(cc1)C1N2C(Sc3ccccc23)=NC(C)=C1C(C)=O |c:20,23| Show InChI InChI=1S/C20H18N2O2S/c1-12-18(13(2)23)19(14-8-10-15(24-3)11-9-14)22-16-6-4-5-7-17(16)25-20(22)21-12/h4-11,19H,1-3H3 | PDB
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| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120590
(CHEMBL3618296)Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(OC)cc1 |c:4,t:7| Show InChI InChI=1S/C21H20N2O2S/c1-4-17(24)19-13(2)22-21-23(16-7-5-6-8-18(16)26-21)20(19)14-9-11-15(25-3)12-10-14/h5-12,20H,4H2,1-3H3 | PDB
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| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120592
(CHEMBL3618298)Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(cc1)[N+]([O-])=O |c:4,t:7| Show InChI InChI=1S/C20H17N3O3S/c1-3-16(24)18-12(2)21-20-22(15-6-4-5-7-17(15)27-20)19(18)13-8-10-14(11-9-13)23(25)26/h4-11,19H,3H2,1-2H3 | PDB
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| n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM14027
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2 | PDB
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| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50120615
(CHEMBL3618290)Show SMILES COc1cc(ccc1O)C1N2C(Sc3ccccc23)=NC(C)=C1C(C)=O |c:21,24| Show InChI InChI=1S/C20H18N2O3S/c1-11-18(12(2)23)19(13-8-9-15(24)16(10-13)25-3)22-14-6-4-5-7-17(14)26-20(22)21-11/h4-10,19,24H,1-3H3 | PDB
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| n/a | n/a | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120594
(CHEMBL3618300)Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(O)c(OC)c1 |c:4,t:7| Show InChI InChI=1S/C21H20N2O3S/c1-4-15(24)19-12(2)22-21-23(14-7-5-6-8-18(14)27-21)20(19)13-9-10-16(25)17(11-13)26-3/h5-11,20,25H,4H2,1-3H3 | PDB
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| n/a | n/a | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50375647
(CHEMBL541401)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc3cc4CC(CN)CCn4c3c2)c2ccccc12 |t:4| Show InChI InChI=1S/C26H24N4O2/c1-29-14-20(19-4-2-3-5-21(19)29)24-23(25(31)28-26(24)32)17-7-6-16-11-18-10-15(13-27)8-9-30(18)22(16)12-17/h2-7,11-12,14-15H,8-10,13,27H2,1H3,(H,28,31,32) | PDB
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| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50430289
(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) | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50120614
(CHEMBL551014)Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(OC)cc2)C1c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C25H30N2O6/c1-6-33-24(29)22-16(2)26-25(32-5)27(23(22)18-9-13-20(31-4)14-10-18)15-21(28)17-7-11-19(30-3)12-8-17/h7-14,23,25-26H,6,15H2,1-5H3 | PDB
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| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120587
(CHEMBL3618285)Show SMILES CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(O)cc1 |c:3,t:6| Show InChI InChI=1S/C19H16N2O2S/c1-11-17(12(2)22)18(13-7-9-14(23)10-8-13)21-15-5-3-4-6-16(15)24-19(21)20-11/h3-10,18,23H,1-2H3 | PDB
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| n/a | n/a | 4.21E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120585
(CHEMBL3618284)Show SMILES CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccccc1O |c:3,t:6| Show InChI InChI=1S/C19H16N2O2S/c1-11-17(12(2)22)18(13-7-3-5-9-15(13)23)21-14-8-4-6-10-16(14)24-19(21)20-11/h3-10,18,23H,1-2H3 | PDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120607
(CHEMBL3618289)Show SMILES CN(C)c1ccc(cc1)C1N2C(Sc3ccccc23)=NC(C)=C1C(C)=O |c:21,24| Show InChI InChI=1S/C21H21N3OS/c1-13-19(14(2)25)20(15-9-11-16(12-10-15)23(3)4)24-17-7-5-6-8-18(17)26-21(24)22-13/h5-12,20H,1-4H3 | PDB
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| n/a | n/a | 4.37E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120588
(CHEMBL3618294)Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccccc1O |c:4,t:7| Show InChI InChI=1S/C20H18N2O2S/c1-3-15(23)18-12(2)21-20-22(14-9-5-7-11-17(14)25-20)19(18)13-8-4-6-10-16(13)24/h4-11,19,24H,3H2,1-2H3 | PDB
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| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| 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 | PDB
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| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of SmMLCK in the presence of 50uM ATP |
Biochem J 408: 297-315 (2007)
Article DOI: 10.1042/BJ20070797
BindingDB Entry DOI: 10.7270/Q27082B4 |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50120611
(CHEMBL558858)Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccc(OC)cc2)C1c1ccc(C)cc1 |c:5| Show InChI InChI=1S/C25H30N2O5/c1-6-32-24(29)22-17(3)26-25(31-5)27(23(22)19-9-7-16(2)8-10-19)15-21(28)18-11-13-20(30-4)14-12-18/h7-14,23,25-26H,6,15H2,1-5H3 | PDB
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| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM3041
(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) | PDB
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| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM3033
(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) | PDB
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| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tumor Biology Center
| 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/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM50120589
(CHEMBL3618295)Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(O)cc1 |c:4,t:7| Show InChI InChI=1S/C20H18N2O2S/c1-3-16(24)18-12(2)21-20-22(15-6-4-5-7-17(15)25-20)19(18)13-8-10-14(23)11-9-13/h4-11,19,23H,3H2,1-2H3 | PDB
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| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120584
(CHEMBL3618283)Show SMILES CC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(F)cc1 |c:3,t:6| Show InChI InChI=1S/C19H15FN2OS/c1-11-17(12(2)23)18(13-7-9-14(20)10-8-13)22-15-5-3-4-6-16(15)24-19(22)21-11/h3-10,18H,1-2H3 | PDB
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| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120593
(CHEMBL3618299)Show SMILES CCC(=O)C1=C(C)N=C2Sc3ccccc3N2C1c1ccc(cc1)N(C)C |c:4,t:7| Show InChI InChI=1S/C22H23N3OS/c1-5-18(26)20-14(2)23-22-25(17-8-6-7-9-19(17)27-22)21(20)15-10-12-16(13-11-15)24(3)4/h6-13,21H,5H2,1-4H3 | PDB
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| n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50120612
(CHEMBL563385)Show SMILES CCOC(=O)C1=C(C)NC(OC)N(CC(=O)c2ccccc2)C1c1ccc(OC)cc1 |c:5| Show InChI InChI=1S/C24H28N2O5/c1-5-31-23(28)21-16(2)25-24(30-4)26(15-20(27)17-9-7-6-8-10-17)22(21)18-11-13-19(29-3)14-12-18/h6-14,22,24-25H,5,15H2,1-4H3 | PDB
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| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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