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BDBM98036 US8486953, 19

SMILES: COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C

InChI Key: InChIKey=OGNWKFYJHNZTNC-UHFFFAOYSA-N

Data: 4 KI  3 IC50

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 = 98036   
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
MAP kinase signal-integrating kinase 2


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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PC sid
UniChem

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Article
PubMed
4.05E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of human Mnk2a using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after 90 mins by ...


Eur J Med Chem 103: 539-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.008
BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of Mnk1a (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured after ...


Eur J Med Chem 103: 539-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.008
BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...


Eur J Med Chem 103: 539-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.008
BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclinT1 (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measure...


Eur J Med Chem 103: 539-50 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.008
BindingDB Entry DOI: 10.7270/Q2S184B8
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 2


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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PC sid
UniChem

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n/an/a 60n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 2


(Homo sapiens (Human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
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UniProtKB/SwissProt

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PC sid
UniChem

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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibition of kinase activity of Mnk1 and Mnk2a was assessed with the same assay system, using pre-activated GST-Mnk1 or GST-Mnk2a, respectively. The...


US Patent US8853193 (2014)


BindingDB Entry DOI: 10.7270/Q2GX4983
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase MNK1


(Homo sapiens (human))
BDBM98036
PNG
(US8486953, 19)
Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)
PDB
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PC sid
UniChem

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n/an/a 590n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro kinase assay using human Mnk1 and Mnk2.


US Patent US8486953 (2013)


BindingDB Entry DOI: 10.7270/Q2TM78R3
More data for this
Ligand-Target Pair