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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'LIM domain kinase 1' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072667
PNG
(CHEMBL3410042)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12
Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
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PubMed
n/an/a 118n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072668
PNG
(CHEMBL3410045)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
Show InChI InChI=1S/C23H23N5O2/c1-15-3-9-19(10-4-15)28(11-12-29)23(30)27-18-7-5-17(6-8-18)21-20-16(2)13-24-22(20)26-14-25-21/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)
PDB

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PubMed
n/an/a 190n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072670
PNG
(CHEMBL3410053)
Show SMILES Cc1[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)c(F)c3)c2c1C
Show InChI InChI=1S/C23H21ClFN5O2/c1-13-14(2)28-22-20(13)21(26-12-27-22)15-3-8-19(18(25)11-15)29-23(32)30(9-10-31)17-6-4-16(24)5-7-17/h3-8,11-12,31H,9-10H2,1-2H3,(H,29,32)(H,26,27,28)
PDB

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n/an/a 210n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072672
PNG
(CHEMBL3410056)
Show SMILES COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN5O2/c1-14-15(2)29-23-21(14)22(27-13-28-23)16-4-9-20(19(26)12-16)30-24(32)31(10-11-33-3)18-7-5-17(25)6-8-18/h4-9,12-13H,10-11H2,1-3H3,(H,30,32)(H,27,28,29)
PDB

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n/an/a 250n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072671
PNG
(CHEMBL3410055)
Show SMILES CN(C)CCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClFN6O/c1-15-16(2)30-24-22(15)23(28-14-29-24)17-5-10-21(20(27)13-17)31-25(34)33(12-11-32(3)4)19-8-6-18(26)7-9-19/h5-10,13-14H,11-12H2,1-4H3,(H,31,34)(H,28,29,30)
PDB

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PubMed
n/an/a 320n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072666
PNG
(CHEMBL3410041)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26)
PDB

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PubMed
n/an/a 372n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072665
PNG
(CHEMBL3410040)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12
Show InChI InChI=1S/C22H20ClN5O2/c1-14-12-24-21-19(14)20(25-13-26-21)15-6-8-16(9-7-15)27-22(30)28(10-11-29)18-5-3-2-4-17(18)23/h2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26)
PDB

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PubMed
n/an/a 420n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072664
PNG
(CHEMBL3410036)
Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12
Show InChI InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25)
PDB

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Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072669
PNG
(CHEMBL3410048)
Show SMILES COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Show InChI InChI=1S/C23H23N5O3/c1-15-13-24-22-20(15)21(25-14-26-22)16-3-5-17(6-4-16)27-23(30)28(11-12-29)18-7-9-19(31-2)10-8-18/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26)
PDB

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UniChem

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Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50364649
PNG
(CHEMBL1951346)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H24N6O2/c1-14(2)28-23(31)17-5-4-6-19(11-17)30-24(32)29-18-9-7-16(8-10-18)21-20-15(3)12-25-22(20)27-13-26-21/h4-14H,1-3H3,(H,28,31)(H,25,26,27)(H2,29,30,32)
PDB

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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Rattus norvegicus)
BDBM50072662
PNG
(CHEMBL3407526)
Show SMILES CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H23FN6O2/c1-13(2)29-23(32)16-5-4-6-17(9-16)30-24(33)31-19-8-7-15(10-18(19)25)21-20-14(3)11-26-22(20)28-12-27-21/h4-13H,1-3H3,(H,29,32)(H,26,27,28)(H2,30,31,33)
PDB

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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Limk1 in rat A7r5 cells assessed as reduction in cofilin phosphorylation by Western blot method


J Med Chem 58: 1846-61 (2015)

More data for this
Ligand-Target Pair