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2 similar compounds to monomer 50117634

Compile data set for download or QSAR
Wt: 436.5
BDBM50117629
Wt: 437.4
BDBM50117630

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50117629,50117630   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
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
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
LIM domain kinase 1


(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 282n/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))
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 62n/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))
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 193n/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))
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 274n/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))
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)
PDB
MMDB

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PC sid
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Article
PubMed
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 1


(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 65n/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