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BDBM50130706 CHEMBL3632746

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

InChI Key: InChIKey=GOGWEKLFSKGXQA-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50130706   
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-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50130706
PNG
(CHEMBL3632746)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)
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PC sid
UniChem

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Article
PubMed
31n/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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM50130706
PNG
(CHEMBL3632746)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)
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PC sid
UniChem

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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 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-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM50130706
PNG
(CHEMBL3632746)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)
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UniChem

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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))
BDBM50130706
PNG
(CHEMBL3632746)
Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)
PDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Patents

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