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Compile Data Set for Download or QSAR

Found 115 hits Enz. Inhib. hit(s) with all data for entry = 50046528   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117300
PNG
(CHEMBL3613604)
Show SMILES COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-17-14-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-19-7-5-6-18(12-19)13-20(32)34-4/h5-7,12,14,16H,8-11,13,15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117489
PNG
(CHEMBL3613598)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-14-11-24-18-17(14)19(26-13-25-18)28-8-6-22(12-23,7-9-28)21(30)27-16-5-3-4-15(10-16)20(29)31-2/h3-5,10-11,13H,6-9,12,23H2,1-2H3,(H,27,30)(H,24,25,26)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117489
PNG
(CHEMBL3613598)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-14-11-24-18-17(14)19(26-13-25-18)28-8-6-22(12-23,7-9-28)21(30)27-16-5-3-4-15(10-16)20(29)31-2/h3-5,10-11,13H,6-9,12,23H2,1-2H3,(H,27,30)(H,24,25,26)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117503
PNG
(CHEMBL3613621)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
Show InChI InChI=1S/C23H27FN6O3/c1-29(2)13-23(22(32)28-16-6-4-5-15(11-16)21(31)33-3)7-9-30(10-8-23)20-18-17(24)12-25-19(18)26-14-27-20/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,32)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117489
PNG
(CHEMBL3613598)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-14-11-24-18-17(14)19(26-13-25-18)28-8-6-22(12-23,7-9-28)21(30)27-16-5-3-4-15(10-16)20(29)31-2/h3-5,10-11,13H,6-9,12,23H2,1-2H3,(H,27,30)(H,24,25,26)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117370
PNG
(CHEMBL3613599)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C25H33N7O3/c1-17-14-26-21-20(17)22(28-16-27-21)32-11-9-25(10-12-32,15-30(2)3)23(33)29-18-7-6-8-19(13-18)35-24(34)31(4)5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117632
PNG
(CHEMBL3613609)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
Show InChI InChI=1S/C26H30N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h1,6-8,14-15,17H,9-13,16H2,2-4H3,(H,30,34)(H,27,28,29)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117631
PNG
(CHEMBL3613610)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)14-23(22(31)27-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)20-18-7-10-24-19(18)25-15-26-20/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,31)(H,24,25,26)
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n/an/a 1.10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117500
PNG
(CHEMBL3613624)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C26H35N7O3/c1-17-18(2)29-22-21(17)23(28-16-27-22)33-12-10-26(11-13-33,15-31(3)4)24(34)30-19-8-7-9-20(14-19)36-25(35)32(5)6/h7-9,14,16H,10-13,15H2,1-6H3,(H,30,34)(H,27,28,29)
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n/an/a 1.40n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117315
PNG
(CHEMBL3613600)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-10-8-24(9-11-30,14-29(2)3)23(32)28-18-7-5-6-17(12-18)22(31)33-4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,28,32)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 1.60n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117501
PNG
(CHEMBL3613623)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-16-17(2)28-21-20(16)22(27-15-26-21)31-11-9-25(10-12-31,14-30(3)4)24(33)29-19-8-6-7-18(13-19)23(32)34-5/h6-8,13,15H,9-12,14H2,1-5H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117631
PNG
(CHEMBL3613610)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)14-23(22(31)27-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)20-18-7-10-24-19(18)25-15-26-20/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,31)(H,24,25,26)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117635
PNG
(CHEMBL3613606)
Show SMILES CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C26H34N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h6-8,14-15,17H,5,9-13,16H2,1-4H3,(H,30,34)(H,27,28,29)
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n/an/a 2.10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117634
PNG
(CHEMBL3613607)
Show SMILES CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C26H34N6O3/c1-17(2)35-24(33)19-7-6-8-20(13-19)30-25(34)26(15-31(4)5)9-11-32(12-10-26)23-21-18(3)14-27-22(21)28-16-29-23/h6-8,13-14,16-17H,9-12,15H2,1-5H3,(H,30,34)(H,27,28,29)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117632
PNG
(CHEMBL3613609)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
Show InChI InChI=1S/C26H30N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h1,6-8,14-15,17H,9-13,16H2,2-4H3,(H,30,34)(H,27,28,29)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117370
PNG
(CHEMBL3613599)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C25H33N7O3/c1-17-14-26-21-20(17)22(28-16-27-21)32-11-9-25(10-12-32,15-30(2)3)23(33)29-18-7-6-8-19(13-18)35-24(34)31(4)5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 2.70n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117503
PNG
(CHEMBL3613621)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
Show InChI InChI=1S/C23H27FN6O3/c1-29(2)13-23(22(32)28-16-6-4-5-15(11-16)21(31)33-3)7-9-30(10-8-23)20-18-17(24)12-25-19(18)26-14-27-20/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,32)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117629
PNG
(CHEMBL3613612)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)15-23(22(31)26-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)19-7-10-24-20-18(19)14-25-27-20/h4-7,10,13-14H,8-9,11-12,15H2,1-3H3,(H,26,31)(H,24,25,27)
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n/an/a 3.80n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117504
PNG
(CHEMBL3613620)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
Show InChI InChI=1S/C24H27N7O3/c1-30(2)14-24(23(33)29-18-6-4-5-16(11-18)22(32)34-3)7-9-31(10-8-24)21-19-17(12-25)13-26-20(19)27-15-28-21/h4-6,11,13,15H,7-10,14H2,1-3H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117370
PNG
(CHEMBL3613599)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C25H33N7O3/c1-17-14-26-21-20(17)22(28-16-27-21)32-11-9-25(10-12-32,15-30(2)3)23(33)29-18-7-6-8-19(13-18)35-24(34)31(4)5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117633
PNG
(CHEMBL3613608)
Show SMILES CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C27H36N6O3/c1-6-19(3)36-25(34)20-8-7-9-21(14-20)31-26(35)27(16-32(4)5)10-12-33(13-11-27)24-22-18(2)15-28-23(22)29-17-30-24/h7-9,14-15,17,19H,6,10-13,16H2,1-5H3,(H,31,35)(H,28,29,30)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117630
PNG
(CHEMBL3613611)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1
Show InChI InChI=1S/C22H27N7O3/c1-28(2)13-22(21(31)26-16-6-4-5-15(11-16)20(30)32-3)7-9-29(10-8-22)19-17-12-25-27-18(17)23-14-24-19/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,26,31)(H,23,24,25,27)
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n/an/a 5.10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117503
PNG
(CHEMBL3613621)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
Show InChI InChI=1S/C23H27FN6O3/c1-29(2)13-23(22(32)28-16-6-4-5-15(11-16)21(31)33-3)7-9-30(10-8-23)20-18-17(24)12-25-19(18)26-14-27-20/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,32)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117635
PNG
(CHEMBL3613606)
Show SMILES CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C26H34N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h6-8,14-15,17H,5,9-13,16H2,1-4H3,(H,30,34)(H,27,28,29)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117300
PNG
(CHEMBL3613604)
Show SMILES COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O3/c1-17-14-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-19-7-5-6-18(12-19)13-20(32)34-4/h5-7,12,14,16H,8-11,13,15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 7n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117303
PNG
(CHEMBL3613601)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C21H24N6O3/c1-13-11-23-17-16(13)18(25-12-24-17)27-8-6-21(22,7-9-27)20(29)26-15-5-3-4-14(10-15)19(28)30-2/h3-5,10-12H,6-9,22H2,1-2H3,(H,26,29)(H,23,24,25)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50117632
PNG
(CHEMBL3613609)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
Show InChI InChI=1S/C26H30N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h1,6-8,14-15,17H,9-13,16H2,2-4H3,(H,30,34)(H,27,28,29)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117299
PNG
(CHEMBL3613605)
Show SMILES COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-11-9-24(10-12-30,14-29(2)3)23(32)28-18-7-5-17(6-8-18)22(31)33-4/h5-8,13,15H,9-12,14H2,1-4H3,(H,28,32)(H,25,26,27)
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Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117301
PNG
(CHEMBL3613603)
Show SMILES COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C25H32N6O4/c1-17-13-26-22-21(17)23(28-16-27-22)31-10-8-25(9-11-31,15-30(2)3)24(33)29-18-6-5-7-19(12-18)35-14-20(32)34-4/h5-7,12-13,16H,8-11,14-15H2,1-4H3,(H,29,33)(H,26,27,28)
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n/an/a 7.90n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117502
PNG
(CHEMBL3613622)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1
Show InChI InChI=1S/C24H30N6O3/c1-16-12-19-20(27-16)25-15-26-21(19)30-10-8-24(9-11-30,14-29(2)3)23(32)28-18-7-5-6-17(13-18)22(31)33-4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117315
PNG
(CHEMBL3613600)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C24H30N6O3/c1-16-13-25-20-19(16)21(27-15-26-20)30-10-8-24(9-11-30,14-29(2)3)23(32)28-18-7-5-6-17(12-18)22(31)33-4/h5-7,12-13,15H,8-11,14H2,1-4H3,(H,28,32)(H,25,26,27)
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n/an/a 8.90n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117627
PNG
(CHEMBL3613614)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C20H22N6O3/c1-29-18(27)13-3-2-4-14(11-13)25-19(28)20(21)6-9-26(10-7-20)17-15-5-8-22-16(15)23-12-24-17/h2-5,8,11-12H,6-7,9-10,21H2,1H3,(H,25,28)(H,22,23,24)
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n/an/a 9.60n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50044004
PNG
(CHEMBL3356433)
Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117629
PNG
(CHEMBL3613612)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)15-23(22(31)26-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)19-7-10-24-20-18(19)14-25-27-20/h4-7,10,13-14H,8-9,11-12,15H2,1-3H3,(H,26,31)(H,24,25,27)
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n/an/a 11n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50117631
PNG
(CHEMBL3613610)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C23H28N6O3/c1-28(2)14-23(22(31)27-17-6-4-5-16(13-17)21(30)32-3)8-11-29(12-9-23)20-18-7-10-24-19(18)25-15-26-20/h4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,31)(H,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50117302
PNG
(CHEMBL3613602)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
Show InChI InChI=1S/C23H28N6O3/c1-15-13-24-19-18(15)20(26-14-25-19)29-10-8-23(9-11-29,28(2)3)22(31)27-17-7-5-6-16(12-17)21(30)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,27,31)(H,24,25,26)
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n/an/a 15n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50117489
PNG
(CHEMBL3613598)
Show SMILES COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C22H26N6O3/c1-14-11-24-18-17(14)19(26-13-25-18)28-8-6-22(12-23,7-9-28)21(30)27-16-5-3-4-15(10-16)20(29)31-2/h3-5,10-11,13H,6-9,12,23H2,1-2H3,(H,27,30)(H,24,25,26)
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n/an/a 16n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of PKA (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50117632
PNG
(CHEMBL3613609)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
Show InChI InChI=1S/C26H30N6O3/c1-5-13-35-24(33)19-7-6-8-20(14-19)30-25(34)26(16-31(3)4)9-11-32(12-10-26)23-21-18(2)15-27-22(21)28-17-29-23/h1,6-8,14-15,17H,9-13,16H2,2-4H3,(H,30,34)(H,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50117303
PNG
(CHEMBL3613601)
Show SMILES COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Show InChI InChI=1S/C21H24N6O3/c1-13-11-23-17-16(13)18(25-12-24-17)27-8-6-21(22,7-9-27)20(29)26-15-5-3-4-14(10-15)19(28)30-2/h3-5,10-12H,6-9,22H2,1-2H3,(H,26,29)(H,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50117370
PNG
(CHEMBL3613599)
Show SMILES CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
Show InChI InChI=1S/C25H33N7O3/c1-17-14-26-21-20(17)22(28-16-27-21)32-11-9-25(10-12-32,15-30(2)3)23(33)29-18-7-6-8-19(13-18)35-24(34)31(4)5/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,29,33)(H,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Amakem Therapeutics N.V.

Curated by ChEMBL


Assay Description
Inhibition of LIMK1 (unknown origin) by radiometric assay


Bioorg Med Chem Lett 25: 4005-10 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.009
BindingDB Entry DOI: 10.7270/Q2T72K7D
More data for this
Ligand-Target Pair
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