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BDBM50418579 CHEMBL2029181

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

InChI Key: InChIKey=ACZYOIGOUSQCEZ-XZQBWAKSSA-N

Data: 9 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 9 hits for monomerid = 50418579   
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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 32n/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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 16n/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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 63n/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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 10n/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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 2.40E+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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 37n/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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
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Article
PubMed
n/an/a 790n/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))
BDBM50418579
PNG
(CHEMBL2029181)
Show SMILES CCNS(=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/C21H29F3N6OS/c1-5-26-32(4,31)15-11-9-14(10-12-15)27-20-25-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(2)3/h9-13,17-18H,4-8H2,1-3H3,(H,26,31)(H2,25,27,28,29)/t17-,18-,32?/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
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PubMed
n/an/a 22n/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