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BDBM124350 CHEMBL2071607::US8759532, 1

SMILES: FC(F)(F)c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1

InChI Key: InChIKey=GAHCTGQCJXQYNK-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 124350   
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 and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM124350
PNG
(CHEMBL2071607 | US8759532, 1)
Show SMILES FC(F)(F)c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show InChI InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)
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US Patent
n/an/a 112n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
To check the inhibition profile, 5 μL of serial diluted compounds were incubated with 5 μL of diluted PDE10 enzyme (BPS Bioscience, San Die...


US Patent US8759532 (2014)


BindingDB Entry DOI: 10.7270/Q25D8QHR
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM124350
PNG
(CHEMBL2071607 | US8759532, 1)
Show SMILES FC(F)(F)c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show InChI InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)
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n/an/a 1.21E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha by Lance assay


Bioorg Med Chem Lett 22: 5392-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.046
BindingDB Entry DOI: 10.7270/Q2CF9R6Q
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM124350
PNG
(CHEMBL2071607 | US8759532, 1)
Show SMILES FC(F)(F)c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show InChI InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)
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n/an/a 5.77E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1delta by Lance assay


Bioorg Med Chem Lett 22: 5392-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.046
BindingDB Entry DOI: 10.7270/Q2CF9R6Q
More data for this
Ligand-Target Pair
Casein kinase I


(Homo sapiens (Human))
BDBM124350
PNG
(CHEMBL2071607 | US8759532, 1)
Show SMILES FC(F)(F)c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show InChI InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)
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n/an/a 6.56E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1gamma2 expressed in HEK293 cells assessed as inhibition of LRP6 Thr1479 phosphorylation by immunoblotting


Bioorg Med Chem Lett 22: 5392-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.046
BindingDB Entry DOI: 10.7270/Q2CF9R6Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM124350
PNG
(CHEMBL2071607 | US8759532, 1)
Show SMILES FC(F)(F)c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C#N)cc1
Show InChI InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)
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n/an/a 3.08E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta by AlphaScreen assay


Bioorg Med Chem Lett 22: 5392-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.046
BindingDB Entry DOI: 10.7270/Q2CF9R6Q
More data for this
Ligand-Target Pair