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PubMed code 19428251

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | N-methyl-N-(2-((2-(2...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 1n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418584
PNG
(CHEMBL2029177)
Show SMILES CNS(=O)(=CC)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H29F3N6OS/c1-5-32(31,25-2)15-11-9-14(10-12-15)27-20-26-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(3)4/h5,9-13,17-18H,6-8H2,1-4H3,(H,25,31)(H2,26,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 21n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418580
PNG
(CHEMBL2029182)
Show SMILES CC(C)NS(=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/C22H31F3N6OS/c1-14(2)30-33(5,32)16-11-9-15(10-12-16)27-21-26-13-17(22(23,24)25)20(29-21)28-18-7-6-8-19(18)31(3)4/h9-14,18-19H,5-8H2,1-4H3,(H,30,32)(H2,26,27,28,29)/t18-,19-,33?/m1/s1
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n/an/a 22n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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 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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418584
PNG
(CHEMBL2029177)
Show SMILES CNS(=O)(=CC)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C21H29F3N6OS/c1-5-32(31,25-2)15-11-9-14(10-12-15)27-20-26-13-16(21(22,23)24)19(29-20)28-17-7-6-8-18(17)30(3)4/h5,9-13,17-18H,6-8H2,1-4H3,(H,25,31)(H2,26,27,28,29)/t17-,18-,32?/m1/s1
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n/an/a 24n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | N-methyl-N-(2-((2-(2...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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n/an/a 31n/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
3D
3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418580
PNG
(CHEMBL2029182)
Show SMILES CC(C)NS(=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/C22H31F3N6OS/c1-14(2)30-33(5,32)16-11-9-15(10-12-16)27-21-26-13-17(22(23,24)25)20(29-21)28-18-7-6-8-19(18)31(3)4/h9-14,18-19H,5-8H2,1-4H3,(H,30,32)(H2,26,27,28,29)/t18-,19-,33?/m1/s1
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n/an/a 34n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246285
PNG
(CHEMBL519418 | N4-((1R,2R)-2-(dimethylamino)cyclop...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3N5O2S/c1-27(2)16-6-4-5-15(16)25-17-14(19(20,21)22)11-23-18(26-17)24-12-7-9-13(10-8-12)30(3,28)29/h7-11,15-16H,4-6H2,1-3H3,(H2,23,24,25,26)/t15-,16-/m1/s1
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n/an/a 60n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246060
PNG
(CHEMBL472212 | CHEMBL541649 | N-methyl-N-(2-((2-(2...)
Show SMILES CN(c1ccccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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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
3D
3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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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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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418581
PNG
(CHEMBL2029183)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(N)(=C)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H25F3N6OS/c1-28(2)16-6-4-5-15(16)26-17-14(19(20,21)22)11-24-18(27-17)25-12-7-9-13(10-8-12)30(3,23)29/h7-11,15-16H,3-6H2,1-2H3,(H2,23,29)(H2,24,25,26,27)/t15-,16-,30?/m1/s1
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n/an/a 65n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246327
PNG
(4-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H25F3N6O2S/c1-23-31(29,30)13-9-7-12(8-10-13)25-18-24-11-14(19(20,21)22)17(27-18)26-15-5-4-6-16(15)28(2)3/h7-11,15-16,23H,4-6H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1
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n/an/a 88n/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
3D
3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50345900
PNG
(CHEMBL1783837 | N-cyclopropyl-4-(4-((1R,2R)-2-(dim...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C21H27F3N6O2S/c1-30(2)18-5-3-4-17(18)27-19-16(21(22,23)24)12-25-20(28-19)26-13-8-10-15(11-9-13)33(31,32)29-14-6-7-14/h8-12,14,17-18,29H,3-7H2,1-2H3,(H2,25,26,27,28)/t17-,18-/m1/s1
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n/an/a 95n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246285
PNG
(CHEMBL519418 | N4-((1R,2R)-2-(dimethylamino)cyclop...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3N5O2S/c1-27(2)16-6-4-5-15(16)25-17-14(19(20,21)22)11-23-18(26-17)24-12-7-9-13(10-8-12)30(3,28)29/h7-11,15-16H,4-6H2,1-3H3,(H2,23,24,25,26)/t15-,16-/m1/s1
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n/an/a 95n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50345900
PNG
(CHEMBL1783837 | N-cyclopropyl-4-(4-((1R,2R)-2-(dim...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C21H27F3N6O2S/c1-30(2)18-5-3-4-17(18)27-19-16(21(22,23)24)12-25-20(28-19)26-13-8-10-15(11-9-13)33(31,32)29-14-6-7-14/h8-12,14,17-18,29H,3-7H2,1-2H3,(H2,25,26,27,28)/t17-,18-/m1/s1
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n/an/a 140n/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
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50246327
PNG
(4-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H25F3N6O2S/c1-23-31(29,30)13-9-7-12(8-10-13)25-18-24-11-14(19(20,21)22)17(27-18)26-15-5-4-6-16(15)28(2)3/h7-11,15-16,23H,4-6H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1
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n/an/a 140n/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
3D
3D Structure (crystal)
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM50418581
PNG
(CHEMBL2029183)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(N)(=C)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H25F3N6OS/c1-28(2)16-6-4-5-15(16)26-17-14(19(20,21)22)11-24-18(27-17)25-12-7-9-13(10-8-12)30(3,23)29/h7-11,15-16H,3-6H2,1-2H3,(H2,23,29)(H2,24,25,26,27)/t15-,16-,30?/m1/s1
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n/an/a 320n/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 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
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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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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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))
BDBM50246285
PNG
(CHEMBL519418 | N4-((1R,2R)-2-(dimethylamino)cyclop...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3N5O2S/c1-27(2)16-6-4-5-15(16)25-17-14(19(20,21)22)11-23-18(26-17)24-12-7-9-13(10-8-12)30(3,28)29/h7-11,15-16H,4-6H2,1-3H3,(H2,23,24,25,26)/t15-,16-/m1/s1
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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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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))
BDBM50345900
PNG
(CHEMBL1783837 | N-cyclopropyl-4-(4-((1R,2R)-2-(dim...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC2CC2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C21H27F3N6O2S/c1-30(2)18-5-3-4-17(18)27-19-16(21(22,23)24)12-25-20(28-19)26-13-8-10-15(11-9-13)33(31,32)29-14-6-7-14/h8-12,14,17-18,29H,3-7H2,1-2H3,(H2,25,26,27,28)/t17-,18-/m1/s1
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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
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50246327
PNG
(4-(4-((1R,2R)-2-(dimethylamino)cyclopentylamino)-5...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[C@H]3N(C)C)n2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H25F3N6O2S/c1-23-31(29,30)13-9-7-12(8-10-13)25-18-24-11-14(19(20,21)22)17(27-18)26-15-5-4-6-16(15)28(2)3/h7-11,15-16,23H,4-6H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1
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n/an/a 3.80E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246285
PNG
(CHEMBL519418 | N4-((1R,2R)-2-(dimethylamino)cyclop...)
Show SMILES CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3N5O2S/c1-27(2)16-6-4-5-15(16)25-17-14(19(20,21)22)11-23-18(26-17)24-12-7-9-13(10-8-12)30(3,28)29/h7-11,15-16H,4-6H2,1-3H3,(H2,23,24,25,26)/t15-,16-/m1/s1
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n/an/a 4.70E+3n/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
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
* indicates data uncertainty>20%