Found 117 hits of ic50 for UniProtKB: P11799 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard |
J Med Chem 40: 1863-9 (1997)
Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891 |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
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| Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50058332
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard |
J Med Chem 40: 1863-9 (1997)
Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891 |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM3047
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074653
(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 |wU:64.72,20.27,5.5,82.85,wD:52.63,31.40,73.81,9.16,(30.96,-1.28,;30.96,-2.82,;29.63,-3.59,;29.63,-5.13,;28.29,-5.9,;28.29,-7.44,;26.96,-8.21,;25.62,-7.44,;25.62,-5.9,;24.29,-8.21,;24.29,-9.75,;25.62,-10.52,;25.62,-12.06,;26.96,-12.83,;26.96,-14.37,;28.29,-15.14,;25.62,-15.14,;22.96,-7.44,;21.63,-8.21,;21.63,-9.75,;20.28,-7.44,;20.28,-5.9,;21.63,-5.13,;21.63,-3.59,;22.96,-2.82,;22.96,-1.28,;21.63,-.51,;24.29,-.51,;18.93,-8.21,;17.62,-7.44,;17.62,-5.9,;16.29,-8.21,;16.29,-9.75,;17.06,-11.08,;16.26,-12.4,;17.03,-13.73,;18.56,-13.73,;19.32,-15.07,;19.33,-12.4,;18.57,-11.08,;14.96,-7.44,;13.63,-8.21,;13.63,-9.75,;12.3,-7.45,;11.53,-8.78,;10.01,-8.78,;9.22,-7.45,;9.99,-6.12,;11.53,-6.11,;7.89,-8.22,;6.56,-7.45,;6.56,-5.91,;5.23,-8.22,;5.23,-9.76,;6.56,-10.53,;7.89,-9.76,;9.22,-10.53,;9.22,-12.07,;10.55,-12.84,;7.89,-12.84,;6.56,-12.07,;3.9,-7.45,;2.57,-8.22,;2.57,-9.76,;1.24,-7.45,;1.24,-5.91,;2.57,-5.14,;2.57,-3.6,;3.9,-2.83,;3.9,-1.29,;-.11,-8.22,;-1.44,-7.45,;-1.44,-5.91,;-2.78,-8.22,;-2.78,-9.76,;-1.44,-10.53,;-1.44,-12.07,;-.11,-12.84,;-.11,-14.38,;-4.11,-7.45,;-5.44,-8.22,;-5.44,-9.76,;-6.77,-7.45,;-8.11,-8.22,;-6.77,-5.91,;-5.44,-5.14,;-5.44,-3.6,;-4.11,-2.83,;-4.11,-1.29,;-5.44,-.52,;-2.78,-.52,;29.63,-8.21,;30.96,-7.44,;29.63,-9.75,)| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074638
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50280875
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074648
(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 |wU:61.69,20.27,5.5,79.82,wD:70.78,49.60,9.16,(33.23,-1.96,;33.23,-3.49,;31.89,-4.25,;31.89,-5.77,;30.55,-6.54,;30.55,-8.06,;29.19,-8.82,;27.85,-8.06,;27.85,-6.54,;26.49,-8.82,;26.49,-10.35,;27.85,-11.1,;27.85,-12.63,;29.19,-13.4,;29.19,-14.93,;30.55,-15.68,;27.85,-15.68,;25.15,-8.06,;23.79,-8.82,;23.79,-10.35,;22.46,-8.06,;22.46,-6.54,;23.79,-5.77,;23.79,-4.25,;25.15,-3.49,;25.15,-1.96,;23.79,-1.19,;26.49,-1.19,;21.1,-8.82,;19.74,-8.06,;19.74,-6.54,;18.24,-8.46,;17.42,-9.74,;15.87,-9.67,;15.14,-8.31,;15.99,-7.03,;17.54,-7.1,;13.81,-7.56,;12.46,-8.31,;12.46,-9.84,;11.12,-7.56,;10.28,-8.85,;8.73,-8.77,;8,-7.43,;8.84,-6.13,;10.4,-6.21,;6.67,-8.19,;5.31,-7.43,;5.31,-5.91,;3.97,-8.19,;3.97,-9.72,;5.31,-10.49,;6.67,-9.72,;8,-10.47,;8,-12.01,;9.36,-12.77,;6.66,-12.77,;5.31,-12.01,;2.62,-7.43,;1.26,-8.19,;1.26,-9.72,;-.09,-7.43,;-.09,-5.91,;1.26,-5.14,;1.26,-3.62,;2.62,-2.86,;2.62,-1.34,;-1.43,-8.19,;-2.78,-7.43,;-2.78,-5.91,;-4.13,-8.19,;-4.13,-9.72,;-2.78,-10.49,;-2.78,-12.01,;-1.43,-12.77,;-1.43,-14.3,;-5.47,-7.43,;-6.85,-8.19,;-6.85,-9.72,;-8.18,-7.43,;-9.53,-8.19,;-8.18,-5.91,;-6.85,-5.14,;-6.85,-3.62,;-5.47,-2.86,;-5.47,-1.34,;-6.85,-.57,;-4.13,-.57,;31.89,-8.82,;33.23,-8.06,;31.89,-10.35,)| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM3049
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074635
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074657
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074644
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074642
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074637
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074639
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074652
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description
Inhibition of chicken SmMLCK expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074646
(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 |wU:61.68,20.27,40.46,5.5,79.81,wD:49.59,70.77,9.16,(31.03,-1.52,;31.03,-3.06,;29.7,-3.83,;29.7,-5.37,;28.37,-6.14,;28.37,-7.68,;27.04,-8.45,;25.7,-7.68,;25.7,-6.14,;24.37,-8.45,;24.37,-9.99,;25.7,-10.76,;25.7,-12.3,;27.04,-13.07,;27.04,-14.61,;28.37,-15.38,;25.7,-15.38,;23.03,-7.68,;21.7,-8.45,;21.7,-9.99,;20.37,-7.68,;20.37,-6.14,;21.7,-5.37,;21.7,-3.83,;23.03,-3.06,;23.03,-1.52,;21.7,-.75,;24.37,-.75,;19.04,-8.45,;17.71,-7.68,;17.71,-6.14,;16.22,-8.08,;15.4,-9.39,;13.86,-9.32,;13.16,-7.96,;13.98,-6.66,;15.52,-6.73,;11.83,-7.19,;10.48,-7.96,;10.48,-9.5,;9.15,-7.19,;9.15,-5.65,;10.48,-4.88,;10.48,-3.34,;11.83,-2.57,;11.83,-1.03,;7.82,-7.96,;6.49,-7.19,;6.49,-5.65,;5.16,-7.96,;5.16,-9.5,;6.49,-10.27,;6.49,-11.81,;7.82,-12.58,;9.15,-11.81,;10.48,-12.58,;9.15,-10.25,;7.82,-9.5,;3.83,-7.19,;2.48,-7.96,;2.48,-9.5,;1.15,-7.19,;1.15,-5.65,;2.48,-4.88,;2.48,-3.34,;3.83,-2.57,;3.83,-1.03,;-.19,-7.96,;-1.52,-7.19,;-1.52,-5.65,;-2.85,-7.96,;-2.85,-9.5,;-1.52,-10.27,;-1.52,-11.81,;-.19,-12.58,;-.19,-14.12,;-4.18,-7.19,;-5.52,-7.96,;-5.52,-9.5,;-6.85,-7.19,;-8.21,-7.96,;-6.85,-5.65,;-5.52,-4.88,;-5.52,-3.34,;-4.18,-2.57,;-4.18,-1.03,;-5.52,-.26,;-2.85,-.26,;29.7,-8.45,;31.03,-7.68,;29.7,-9.99,)| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074649
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074645
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074655
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074651
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074636
(CHEMBL386668 | R-K-K-Y-K-L-R-R-K-NH2)Show SMILES CC(C)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/c1-34(2)32-44(53(89)78-43(20-13-31-72-57(68)69)50(86)76-42(19-12-30-71-56(66)67)48(84)73-38(46(63)82)15-3-7-25-58)79-51(87)41(18-6-10-28-61)77-54(90)45(33-35-21-23-36(81)24-22-35)80-52(88)40(17-5-9-27-60)75-49(85)39(16-4-8-26-59)74-47(83)37(62)14-11-29-70-55(64)65/h21-24,34,37-45,81H,3-20,25-33,58-62H2,1-2H3,(H2,63,82)(H,73,84)(H,74,83)(H,75,85)(H,76,86)(H,77,90)(H,78,89)(H,79,87)(H,80,88)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074650
(CHEMBL412772 | R-K-K-Y-K-V-R-R-K-NH2)Show SMILES CC(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/C56H105N23O10/c1-33(2)44(53(89)77-42(20-13-31-71-56(67)68)49(85)75-41(19-12-30-70-55(65)66)47(83)72-37(45(62)81)15-3-7-25-57)79-51(87)40(18-6-10-28-60)76-52(88)43(32-34-21-23-35(80)24-22-34)78-50(86)39(17-5-9-27-59)74-48(84)38(16-4-8-26-58)73-46(82)36(61)14-11-29-69-54(63)64/h21-24,33,36-44,80H,3-20,25-32,57-61H2,1-2H3,(H2,62,81)(H,72,83)(H,73,82)(H,74,84)(H,75,85)(H,76,88)(H,77,89)(H,78,86)(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | 7.2 | 30 |
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: 10.1016/0960-894X(94)00458-R
BindingDB Entry DOI: 10.7270/Q2CF9N8C |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50280868
(12-(2,3-dihydroxypropyl)-6,7,12,13-tetrahydro-5H-i...)Show SMILES OCC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C23H19N3O3/c27-11-12(28)10-26-17-8-4-2-6-14(17)18-15-9-24-23(29)20(15)19-13-5-1-3-7-16(13)25-21(19)22(18)26/h1-8,12,25,27-28H,9-11H2,(H,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074643
(CHEMBL264293 | R-K-K-Y-K-A-R-R-K-NH2)Show SMILES 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/C54H101N23O10/c1-32(44(80)72-40(18-11-29-68-53(63)64)49(85)75-41(19-12-30-69-54(65)66)47(83)71-36(43(60)79)14-2-6-24-55)70-46(82)37(15-3-7-25-56)76-51(87)42(31-33-20-22-34(78)23-21-33)77-50(86)39(17-5-9-27-58)74-48(84)38(16-4-8-26-57)73-45(81)35(59)13-10-28-67-52(61)62/h20-23,32,35-42,78H,2-19,24-31,55-59H2,1H3,(H2,60,79)(H,70,82)(H,71,83)(H,72,80)(H,73,81)(H,74,84)(H,75,85)(H,76,87)(H,77,86)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t32-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50280870
(12-(2,2-difluoroethyl)-13-methyl-6,7,12,13-tetrahy...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CC(F)F)c3c12 Show InChI InChI=1S/C23H17F2N3O/c1-27-15-8-4-2-6-12(15)19-20-14(10-26-23(20)29)18-13-7-3-5-9-16(13)28(11-17(24)25)22(18)21(19)27/h2-9,17H,10-11H2,1H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50280871
(12-(3-azidopropyl)-13-methyl-6,7,12,13-tetrahydro-...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN=[N+]=[N-])c3c12 Show InChI InChI=1S/C24H20N6O/c1-29-17-9-4-2-7-14(17)20-21-16(13-26-24(21)31)19-15-8-3-5-10-18(15)30(23(19)22(20)29)12-6-11-27-28-25/h2-5,7-10H,6,11-13H2,1H3,(H,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50280877
(2-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrr...)Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1n(CCC#N)c3ccccc3c21 Show InChI InChI=1S/C23H16N4O/c24-10-5-11-27-17-9-4-2-7-14(17)18-15-12-25-23(28)20(15)19-13-6-1-3-8-16(13)26-21(19)22(18)27/h1-4,6-9,26H,5,11-12H2,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50015081
(2-(2-Amino-3-hydroxy-propionylamino)-N1-{1-[1-benz...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(CCCc1ccccc1)CCCc1ccccc1 Show InChI InChI=1S/C41H55N5O5/c1-29(2)38(46-40(50)36(27-37(43)48)45-39(49)35(42)28-47)41(51)44-34(26-33-18-10-5-11-19-33)25-24-32(22-12-20-30-14-6-3-7-15-30)23-13-21-31-16-8-4-9-17-31/h3-11,14-19,24-25,29,32,34-36,38,47H,12-13,20-23,26-28,42H2,1-2H3,(H2,43,48)(H,44,51)(H,45,49)(H,46,50)/b25-24+/t34-,35+,36+,38+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research
Curated by ChEMBL
| Assay Description
Inhibition of calmodulin-independent form of myosin light chain kinase isolated from chicken gizzard. |
J Med Chem 33: 964-72 (1990)
BindingDB Entry DOI: 10.7270/Q21N803V |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074654
(CHEMBL405953 | R-K-K-Y-K-D-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(O)=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/C55H101N23O12/c56-23-5-1-13-35(44(61)82)71-46(84)39(17-10-28-69-54(64)65)74-48(86)40(18-11-29-70-55(66)67)76-52(90)42(31-43(80)81)78-50(88)38(16-4-8-26-59)75-51(89)41(30-32-19-21-33(79)22-20-32)77-49(87)37(15-3-7-25-58)73-47(85)36(14-2-6-24-57)72-45(83)34(60)12-9-27-68-53(62)63/h19-22,34-42,79H,1-18,23-31,56-60H2,(H2,61,82)(H,71,84)(H,72,83)(H,73,85)(H,74,86)(H,75,89)(H,76,90)(H,77,87)(H,78,88)(H,80,81)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50369485
(CHEMBL1791266)Show SMILES [#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O Show InChI InChI=1S/C55H103N23O11/c1-32(79)43(52(89)76-41(19-12-30-70-55(66)67)48(85)74-40(18-11-29-69-54(64)65)46(83)71-36(44(61)81)14-2-6-24-56)78-50(87)39(17-5-9-27-59)75-51(88)42(31-33-20-22-34(80)23-21-33)77-49(86)38(16-4-8-26-58)73-47(84)37(15-3-7-25-57)72-45(82)35(60)13-10-28-68-53(62)63/h20-23,32,35-43,79-80H,2-19,24-31,56-60H2,1H3,(H2,61,81)(H,71,83)(H,72,82)(H,73,84)(H,74,85)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074641
(CHEMBL269727 | R-K-K-Y-K-E-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(O)=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/C56H103N23O12/c57-25-5-1-13-36(45(62)83)72-47(85)40(17-10-30-70-55(65)66)75-50(88)41(18-11-31-71-56(67)68)76-52(90)42(23-24-44(81)82)78-49(87)38(15-3-7-27-59)77-53(91)43(32-33-19-21-34(80)22-20-33)79-51(89)39(16-4-8-28-60)74-48(86)37(14-2-6-26-58)73-46(84)35(61)12-9-29-69-54(63)64/h19-22,35-43,80H,1-18,23-32,57-61H2,(H2,62,83)(H,72,85)(H,73,84)(H,74,86)(H,75,88)(H,76,90)(H,77,91)(H,78,87)(H,79,89)(H,81,82)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50015070
(CHEMBL426400 | benzyl 2-[1-{1-[1-(1-amino-2-hydrox...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C31H41IN6O9/c1-16(2)26(38-29(44)23(13-25(34)41)36-27(42)21(33)14-39)30(45)37-22(12-19-9-10-24(40)20(32)11-19)28(43)35-17(3)31(46)47-15-18-7-5-4-6-8-18/h4-11,16-17,21-23,26,39-40H,12-15,33H2,1-3H3,(H2,34,41)(H,35,43)(H,36,42)(H,37,45)(H,38,44)/t17-,21-,22-,23-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research
Curated by ChEMBL
| Assay Description
Inhibition of native form of chicken MLCK (myosin light chain kinase) |
J Med Chem 33: 964-72 (1990)
BindingDB Entry DOI: 10.7270/Q21N803V |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50015076
(CHEMBL367251 | benzyl 2-[1-{1-[1-(1-amino-2-hydrox...)Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C37H46N6O8/c1-22(2)32(43-35(48)30(19-31(39)45)41-33(46)28(38)20-44)36(49)42-29(18-24-14-16-27(17-15-24)26-12-8-5-9-13-26)34(47)40-23(3)37(50)51-21-25-10-6-4-7-11-25/h4-17,22-23,28-30,32,44H,18-21,38H2,1-3H3,(H2,39,45)(H,40,47)(H,41,46)(H,42,49)(H,43,48)/t23-,28-,29-,30-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research
Curated by ChEMBL
| Assay Description
Inhibition of native form of chicken MLCK (myosin light chain kinase) |
J Med Chem 33: 964-72 (1990)
BindingDB Entry DOI: 10.7270/Q21N803V |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50074656
(CHEMBL411670 | R-K-K-(Ach)-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)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:61.68,43.49,20.27,5.5,79.81,wD:31.40,70.77,9.16,(30.71,-1.45,;30.71,-2.99,;29.38,-3.76,;29.38,-5.3,;28.05,-6.07,;28.05,-7.59,;26.72,-8.38,;25.39,-7.59,;25.39,-6.07,;24.06,-8.38,;24.06,-9.92,;25.39,-10.69,;25.39,-12.23,;26.72,-13,;26.72,-14.54,;28.05,-15.31,;25.39,-15.31,;22.71,-7.59,;21.38,-8.38,;21.38,-9.92,;20.05,-7.59,;20.05,-6.07,;21.38,-5.3,;21.38,-3.76,;22.71,-2.99,;22.71,-1.45,;21.38,-.68,;24.06,-.68,;18.72,-8.38,;17.38,-7.59,;17.38,-6.07,;16.05,-8.38,;16.05,-9.92,;17.13,-11,;18.6,-10.6,;19.7,-11.67,;19.3,-13.18,;20.39,-14.26,;17.81,-13.56,;16.73,-12.48,;14.71,-7.59,;13.38,-8.38,;13.38,-9.92,;12.05,-7.59,;12.05,-6.07,;13.38,-5.3,;13.38,-3.76,;14.71,-2.99,;14.71,-1.45,;10.72,-8.38,;9.39,-7.59,;9.39,-6.07,;7.89,-8.01,;7.12,-6.68,;5.58,-6.68,;4.83,-8.03,;5.61,-9.36,;7.15,-9.34,;3.5,-7.26,;2.15,-8.03,;2.15,-9.57,;.82,-7.26,;.82,-5.72,;2.15,-4.95,;2.15,-3.41,;3.5,-2.64,;3.5,-1.1,;-.51,-8.03,;-1.84,-7.26,;-1.84,-5.72,;-3.17,-8.03,;-3.17,-9.57,;-1.84,-10.34,;-1.84,-11.88,;-.51,-12.65,;-.51,-14.19,;-4.5,-7.26,;-5.85,-8.03,;-5.85,-9.57,;-7.18,-7.26,;-8.51,-8.03,;-7.18,-5.72,;-5.85,-4.95,;-5.85,-3.41,;-4.5,-2.64,;-4.5,-1.1,;-5.85,-.33,;-3.17,-.33,;29.38,-8.38,;30.71,-7.59,;29.38,-9.92,)| Show InChI InChI=1S/C58H107N23O10/c59-27-5-1-13-40(47(64)83)75-51(87)44(17-10-32-72-57(67)68)79-53(89)45(18-11-33-73-58(69)70)80-55(91)46(34-35-19-25-38(82)26-20-35)81-54(90)42(15-3-7-29-61)76-48(84)36-21-23-37(24-22-36)74-50(86)41(14-2-6-28-60)78-52(88)43(16-4-8-30-62)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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description
Inhibitory activity against MLCK (smooth muscle myosin light chain kinase) |
J Med Chem 42: 910-9 (1999)
Article DOI: 10.1021/jm980573a
BindingDB Entry DOI: 10.7270/Q2JS9R4T |
More data for this
Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50280876
(12-methyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyr...)Show SMILES Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C21H15N3O/c1-24-15-9-5-3-7-12(15)16-13-10-22-21(25)18(13)17-11-6-2-4-8-14(11)23-19(17)20(16)24/h2-9,23H,10H2,1H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM50280879
(12,13-diethyl-6,7,12,13-tetrahydro-5H-indolo[2,3-a...)Show SMILES CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CC)c3c12 Show InChI InChI=1S/C24H21N3O/c1-3-26-17-11-7-5-9-14(17)19-16-13-25-24(28)21(16)20-15-10-6-8-12-18(15)27(4-2)23(20)22(19)26/h5-12H,3-4,13H2,1-2H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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