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SMILES: Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12

InChI Key: InChIKey=NCDFJOWBEBTLBV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50329931   
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
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50329931
PNG
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50329931
PNG
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26)
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n/an/a 154n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329931
PNG
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26)
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n/an/a 87n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Bioorg Med Chem Lett 21: 2969-74 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.054
BindingDB Entry DOI: 10.7270/Q27M088W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50329931
PNG
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26)
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n/an/a 154n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50329931
PNG
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26)
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PubMed
n/an/a 1.28E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329931
PNG
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26)
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n/an/a 60n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50329931
PNG
(8-(5-amino-2-(trifluoromethoxy)phenylamino)-1-meth...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(N)ccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H16F3N7O2/c1-28-15-10(14(27-28)16(23)29)4-2-8-7-24-17(26-13(8)15)25-11-6-9(22)3-5-12(11)30-18(19,20)21/h3,5-7H,2,4,22H2,1H3,(H2,23,29)(H,24,25,26)
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PubMed
n/an/a 1.18E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Bioorg Med Chem Lett 20: 6489-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.060
BindingDB Entry DOI: 10.7270/Q2VT1T39
More data for this
Ligand-Target Pair