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BDBM50418578 CHEMBL2029180

SMILES: CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1

InChI Key: InChIKey=OGDXSGNUCLMRSH-LDMUAYPXSA-N

Data: 10 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 10 hits for monomerid = 50418578   
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
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 assessed as reduction in peptide substrate phosphoryltion by fluorimetric method


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 2.03E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell based by patch clamp assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 98n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified activated FAK kinase domain (410-689) using ATP and Glu and Tyr random peptide polymer substrate by fluorescence polarization ...


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified activated FAK kinase domain (410-689) using ATP and Glu and Tyr random peptide polymer substrate by fluorescence polarization ...


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified activated FAK kinase domain (410-689) using ATP and Glu and Tyr random peptide polymer substrate by fluorescence polarization ...


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50418578
PNG
(CHEMBL2029180)
Show SMILES CNS(=C)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C20H27F3N6OS/c1-24-31(4,30)14-10-8-13(9-11-14)26-19-25-12-15(20(21,22)23)18(28-19)27-16-6-5-7-17(16)29(2)3/h8-12,16-17H,4-7H2,1-3H3,(H,24,30)(H2,25,26,27,28)/t16-,17-,31?/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PYK2 by PYK2-LI-COR cellular assay


Bioorg Med Chem Lett 19: 3253-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.093
BindingDB Entry DOI: 10.7270/Q2GH9J96
More data for this
Ligand-Target Pair