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Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50017572   
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))
BDBM50184049
PNG
(3-(6-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)n4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N5O5/c1-31-17-11-16(12-18(32-2)21(17)33-3)26-23-24-13-14-9-10-28(22(14)27-23)19-6-4-5-15(25-19)7-8-20(29)30/h4-6,9-13H,7-8H2,1-3H3,(H,29,30)(H,24,26,27)
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n/an/a 4n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183986
PNG
(CHEMBL207084 | N-(2-aminoethyl)-3-(2-(3,4,5-trimet...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H26N6O4/c1-32-19-12-17(13-20(33-2)21(19)34-3)28-24-27-14-16-7-10-30(22(16)29-24)18-6-4-5-15(11-18)23(31)26-9-8-25/h4-7,10-14H,8-9,25H2,1-3H3,(H,26,31)(H,27,28,29)
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n/an/a 29n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183989
PNG
(3-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(O)=O)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H24N4O5/c1-31-19-12-17(13-20(32-2)22(19)33-3)26-24-25-14-16-9-10-28(23(16)27-24)18-6-4-5-15(11-18)7-8-21(29)30/h4-6,9-14H,7-8H2,1-3H3,(H,29,30)(H,25,26,27)
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n/an/a 35n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184028
PNG
(2-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(O)=O)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H22N4O5/c1-30-18-11-16(12-19(31-2)21(18)32-3)25-23-24-13-15-7-8-27(22(15)26-23)17-6-4-5-14(9-17)10-20(28)29/h4-9,11-13H,10H2,1-3H3,(H,28,29)(H,24,25,26)
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n/an/a 37n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184034
PNG
(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(O)=O)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N4O5/c1-29-17-10-15(11-18(30-2)19(17)31-3)24-22-23-12-14-7-8-26(20(14)25-22)16-6-4-5-13(9-16)21(27)28/h4-12H,1-3H3,(H,27,28)(H,23,24,25)
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n/an/a 38n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184019
PNG
(CHEMBL379837 | N-(2-(dimethylamino)ethyl)-3-(2-(3,...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN(C)C)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C26H30N6O4/c1-31(2)12-10-27-25(33)17-7-6-8-20(13-17)32-11-9-18-16-28-26(30-24(18)32)29-19-14-21(34-3)23(36-5)22(15-19)35-4/h6-9,11,13-16H,10,12H2,1-5H3,(H,27,33)(H,28,29,30)
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n/an/a 38n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184002
PNG
(CHEMBL207961 | N-(3-(dimethylamino)propyl)-3-(2-(3...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCCN(C)C)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C27H32N6O4/c1-32(2)12-7-11-28-26(34)18-8-6-9-21(14-18)33-13-10-19-17-29-27(31-25(19)33)30-20-15-22(35-3)24(37-5)23(16-20)36-4/h6,8-10,13-17H,7,11-12H2,1-5H3,(H,28,34)(H,29,30,31)
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n/an/a 54n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184000
PNG
(2-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC#N)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H21N5O3/c1-29-19-12-17(13-20(30-2)21(19)31-3)26-23-25-14-16-8-10-28(22(16)27-23)18-6-4-5-15(11-18)7-9-24/h4-6,8,10-14H,7H2,1-3H3,(H,25,26,27)
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n/an/a 63n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184035
PNG
(CHEMBL207499 | N-isobutyl-3-(3-(2-(3,4,5-trimethox...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCC(C)C)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C28H33N5O4/c1-18(2)16-29-25(34)10-9-19-7-6-8-22(13-19)33-12-11-20-17-30-28(32-27(20)33)31-21-14-23(35-3)26(37-5)24(15-21)36-4/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H,29,34)(H,30,31,32)
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n/an/a 63n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183979
PNG
(CHEMBL377708 | N-(2-(pyrrolidin-1-yl)ethyl)-3-(2-(...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCN4CCCC4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C28H32N6O4/c1-36-23-16-21(17-24(37-2)25(23)38-3)31-28-30-18-20-9-13-34(26(20)32-28)22-8-6-7-19(15-22)27(35)29-10-14-33-11-4-5-12-33/h6-9,13,15-18H,4-5,10-12,14H2,1-3H3,(H,29,35)(H,30,31,32)
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n/an/a 73n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184020
PNG
(3-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC#N)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H23N5O3/c1-30-20-13-18(14-21(31-2)22(20)32-3)27-24-26-15-17-9-11-29(23(17)28-24)19-8-4-6-16(12-19)7-5-10-25/h4,6,8-9,11-15H,5,7H2,1-3H3,(H,26,27,28)
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n/an/a 93n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184043
PNG
(7-(3-(2H-tetrazol-5-yl)phenyl)-N-(3,4,5-trimethoxy...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)-c4nnn[nH]4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N8O3/c1-31-17-10-15(11-18(32-2)19(17)33-3)24-22-23-12-14-7-8-30(21(14)25-22)16-6-4-5-13(9-16)20-26-28-29-27-20/h4-12H,1-3H3,(H,23,24,25)(H,26,27,28,29)
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n/an/a 115n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184005
PNG
(CHEMBL439154 | N-cyclopropyl-2-(3-(2-(3,4,5-trimet...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CC5)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C26H27N5O4/c1-33-21-13-19(14-22(34-2)24(21)35-3)29-26-27-15-17-9-10-31(25(17)30-26)20-6-4-5-16(11-20)12-23(32)28-18-7-8-18/h4-6,9-11,13-15,18H,7-8,12H2,1-3H3,(H,28,32)(H,27,29,30)
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n/an/a 117n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183980
PNG
(7-(3-(2-(2H-tetrazol-5-yl)ethyl)phenyl)-N-(3,4,5-t...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCc5nnn[nH]5)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H24N8O3/c1-33-19-12-17(13-20(34-2)22(19)35-3)26-24-25-14-16-9-10-32(23(16)27-24)18-6-4-5-15(11-18)7-8-21-28-30-31-29-21/h4-6,9-14H,7-8H2,1-3H3,(H,25,26,27)(H,28,29,30,31)
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n/an/a 119n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184003
PNG
(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H19N5O3/c1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-7-8-27(21(15)26-22)17-6-4-5-14(9-17)12-23/h4-11,13H,1-3H3,(H,24,25,26)
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n/an/a 126n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184036
PNG
(CHEMBL208370 | N-(2-aminoethyl)-6-(2-(3,4,5-trimet...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCN)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H25N7O4/c1-32-17-11-15(12-18(33-2)20(17)34-3)27-23-26-13-14-7-10-30(21(14)29-23)19-6-4-5-16(28-19)22(31)25-9-8-24/h4-7,10-13H,8-9,24H2,1-3H3,(H,25,31)(H,26,27,29)
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n/an/a 182n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50182010
PNG
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
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n/an/a 212n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184037
PNG
(7-m-tolyl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H22N4O3/c1-14-6-5-7-17(10-14)26-9-8-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25)
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n/an/a 221n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184047
PNG
(7-(3-((2H-tetrazol-5-yl)methyl)phenyl)-N-(3,4,5-tr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nnn[nH]5)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H22N8O3/c1-32-18-11-16(12-19(33-2)21(18)34-3)25-23-24-13-15-7-8-31(22(15)26-23)17-6-4-5-14(9-17)10-20-27-29-30-28-20/h4-9,11-13H,10H2,1-3H3,(H,24,25,26)(H,27,28,29,30)
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n/an/a 232n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184041
PNG
(7-(3-(trifluoromethyl)phenyl)-N-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(F)(F)F)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H19F3N4O3/c1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-7-8-29(20(13)28-21)16-6-4-5-14(9-16)22(23,24)25/h4-12H,1-3H3,(H,26,27,28)
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n/an/a 235n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184018
PNG
(CHEMBL204686 | N-(2-(dimethylamino)ethyl)-3-(3-(2-...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCCN(C)C)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C28H34N6O4/c1-33(2)14-12-29-25(35)10-9-19-7-6-8-22(15-19)34-13-11-20-18-30-28(32-27(20)34)31-21-16-23(36-3)26(38-5)24(17-21)37-4/h6-8,11,13,15-18H,9-10,12,14H2,1-5H3,(H,29,35)(H,30,31,32)
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n/an/a 236n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183995
PNG
(CHEMBL380312 | N-(2-cyanoethyl)-6-(2-(3,4,5-trimet...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCC#N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H23N7O4/c1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25/h4,6-8,11-14H,5,10H2,1-3H3,(H,26,32)(H,27,28,30)
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n/an/a 242n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183984
PNG
(CHEMBL380515 | N-methyl-3-(2-(3,4,5-trimethoxyphen...)
Show SMILES CNC(=O)c1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C23H23N5O4/c1-24-22(29)14-6-5-7-17(10-14)28-9-8-15-13-25-23(27-21(15)28)26-16-11-18(30-2)20(32-4)19(12-16)31-3/h5-13H,1-4H3,(H,24,29)(H,25,26,27)
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n/an/a 262n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184050
PNG
(CHEMBL380226 | N-(cyanomethyl)-6-(2-(3,4,5-trimeth...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCC#N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C23H21N7O4/c1-32-17-11-15(12-18(33-2)20(17)34-3)27-23-26-13-14-7-10-30(21(14)29-23)19-6-4-5-16(28-19)22(31)25-9-8-24/h4-7,10-13H,9H2,1-3H3,(H,25,31)(H,26,27,29)
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n/an/a 278n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183981
PNG
(CHEMBL207444 | N-(2-acetamidoethyl)-3-(2-(3,4,5-tr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCNC(C)=O)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C26H28N6O5/c1-16(33)27-9-10-28-25(34)17-6-5-7-20(12-17)32-11-8-18-15-29-26(31-24(18)32)30-19-13-21(35-2)23(37-4)22(14-19)36-3/h5-8,11-15H,9-10H2,1-4H3,(H,27,33)(H,28,34)(H,29,30,31)
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n/an/a 298n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183983
PNG
(CHEMBL380683 | methyl 2-(2-(3,4,5-trimethoxyphenyl...)
Show SMILES COC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C23H22N4O5/c1-29-18-11-15(12-19(30-2)20(18)31-3)25-23-24-13-14-9-10-27(21(14)26-23)17-8-6-5-7-16(17)22(28)32-4/h5-13H,1-4H3,(H,24,25,26)
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n/an/a 314n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184025
PNG
(CHEMBL208468 | N-cyclopropyl-3-(2-(3,4,5-trimethox...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CC4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C25H25N5O4/c1-32-20-12-18(13-21(33-2)22(20)34-3)28-25-26-14-16-9-10-30(23(16)29-25)19-6-4-5-15(11-19)24(31)27-17-7-8-17/h4-6,9-14,17H,7-8H2,1-3H3,(H,27,31)(H,26,28,29)
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n/an/a 322n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184039
PNG
(CHEMBL207126 | N-methyl-3-(3-(2-(3,4,5-trimethoxyp...)
Show SMILES CNC(=O)CCc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C25H27N5O4/c1-26-22(31)9-8-16-6-5-7-19(12-16)30-11-10-17-15-27-25(29-24(17)30)28-18-13-20(32-2)23(34-4)21(14-18)33-3/h5-7,10-15H,8-9H2,1-4H3,(H,26,31)(H,27,28,29)
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n/an/a 331n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183987
PNG
(CHEMBL382192 | methyl 2-(3-(3-(2-(3,4,5-trimethoxy...)
Show SMILES COC(=O)CNC(=O)CCc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C27H29N5O6/c1-35-21-13-19(14-22(36-2)25(21)38-4)30-27-29-15-18-10-11-32(26(18)31-27)20-7-5-6-17(12-20)8-9-23(33)28-16-24(34)37-3/h5-7,10-15H,8-9,16H2,1-4H3,(H,28,33)(H,29,30,31)
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n/an/a 339n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184021
PNG
(CHEMBL208939 | N-methyl-2-(2-(3,4,5-trimethoxyphen...)
Show SMILES CNC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C23H23N5O4/c1-24-22(29)16-7-5-6-8-17(16)28-10-9-14-13-25-23(27-21(14)28)26-15-11-18(30-2)20(32-4)19(12-15)31-3/h5-13H,1-4H3,(H,24,29)(H,25,26,27)
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n/an/a 342n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184013
PNG
(CHEMBL207259 | N-ethyl-3-(3-(2-(3,4,5-trimethoxyph...)
Show SMILES CCNC(=O)CCc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C26H29N5O4/c1-5-27-23(32)10-9-17-7-6-8-20(13-17)31-12-11-18-16-28-26(30-25(18)31)29-19-14-21(33-2)24(35-4)22(15-19)34-3/h6-8,11-16H,5,9-10H2,1-4H3,(H,27,32)(H,28,29,30)
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n/an/a 345n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183991
PNG
(CHEMBL378661 | N-ethyl-3-(2-(3,4,5-trimethoxypheny...)
Show SMILES CCNC(=O)c1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C24H25N5O4/c1-5-25-23(30)15-7-6-8-18(11-15)29-10-9-16-14-26-24(28-22(16)29)27-17-12-19(31-2)21(33-4)20(13-17)32-3/h6-14H,5H2,1-4H3,(H,25,30)(H,26,27,28)
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n/an/a 365n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184023
PNG
(CHEMBL208384 | N-(3-aminopropyl)-6-(2-(3,4,5-trime...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCCN)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H27N7O4/c1-33-18-12-16(13-19(34-2)21(18)35-3)28-24-27-14-15-8-11-31(22(15)30-24)20-7-4-6-17(29-20)23(32)26-10-5-9-25/h4,6-8,11-14H,5,9-10,25H2,1-3H3,(H,26,32)(H,27,28,30)
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n/an/a 397n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183998
PNG
(CHEMBL207721 | N-ethyl-2-(3-(2-(3,4,5-trimethoxyph...)
Show SMILES CCNC(=O)Cc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C25H27N5O4/c1-5-26-22(31)12-16-7-6-8-19(11-16)30-10-9-17-15-27-25(29-24(17)30)28-18-13-20(32-2)23(34-4)21(14-18)33-3/h6-11,13-15H,5,12H2,1-4H3,(H,26,31)(H,27,28,29)
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n/an/a 421n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184033
PNG
(CHEMBL379279 | N-(2-hydroxyethyl)-3-(2-(3,4,5-trim...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCO)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C24H25N5O5/c1-32-19-12-17(13-20(33-2)21(19)34-3)27-24-26-14-16-7-9-29(22(16)28-24)18-6-4-5-15(11-18)23(31)25-8-10-30/h4-7,9,11-14,30H,8,10H2,1-3H3,(H,25,31)(H,26,27,28)
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n/an/a 434n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184027
PNG
(2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4C#N)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H19N5O3/c1-28-18-10-16(11-19(29-2)20(18)30-3)25-22-24-13-15-8-9-27(21(15)26-22)17-7-5-4-6-14(17)12-23/h4-11,13H,1-3H3,(H,24,25,26)
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n/an/a 504n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183977
PNG
(7-p-tolyl-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(C)cc4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H22N4O3/c1-14-5-7-17(8-6-14)26-10-9-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25)
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n/an/a 507n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184038
PNG
(CHEMBL206927 | methyl 2-(2-(2-(3,4,5-trimethoxyphe...)
Show SMILES COC(=O)CNC(=O)c1cccc(n1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C24H24N6O6/c1-33-17-10-15(11-18(34-2)21(17)36-4)27-24-26-12-14-8-9-30(22(14)29-24)19-7-5-6-16(28-19)23(32)25-13-20(31)35-3/h5-12H,13H2,1-4H3,(H,25,32)(H,26,27,29)
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n/an/a 544n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184046
PNG
(CHEMBL425418 | N-(2-(dimethylamino)ethyl)-6-(2-(3,...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(n4)C(=O)NCCN(C)C)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C25H29N7O4/c1-31(2)12-10-26-24(33)18-7-6-8-21(29-18)32-11-9-16-15-27-25(30-23(16)32)28-17-13-19(34-3)22(36-5)20(14-17)35-4/h6-9,11,13-15H,10,12H2,1-5H3,(H,26,33)(H,27,28,30)
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n/an/a 634n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183976
PNG
(CHEMBL207232 | methyl 2-(2-(3-(2-(3,4,5-trimethoxy...)
Show SMILES COC(=O)CNC(=O)Cc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C26H27N5O6/c1-34-20-12-18(13-21(35-2)24(20)37-4)29-26-28-14-17-8-9-31(25(17)30-26)19-7-5-6-16(10-19)11-22(32)27-15-23(33)36-3/h5-10,12-14H,11,15H2,1-4H3,(H,27,32)(H,28,29,30)
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n/an/a 635n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183978
PNG
(CHEMBL207834 | N-(2-aminoethyl)-2-(3-(2-(3,4,5-tri...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCN)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C25H28N6O4/c1-33-20-13-18(14-21(34-2)23(20)35-3)29-25-28-15-17-7-10-31(24(17)30-25)19-6-4-5-16(11-19)12-22(32)27-9-8-26/h4-7,10-11,13-15H,8-9,12,26H2,1-3H3,(H,27,32)(H,28,29,30)
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n/an/a 727n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184016
PNG
((2-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccc4CO)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H22N4O4/c1-28-18-10-16(11-19(29-2)20(18)30-3)24-22-23-12-14-8-9-26(21(14)25-22)17-7-5-4-6-15(17)13-27/h4-12,27H,13H2,1-3H3,(H,23,24,25)
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n/an/a 727n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184006
PNG
(7-(4-(methylthio)phenyl)-N-(3,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(SC)cc4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H22N4O3S/c1-27-18-11-15(12-19(28-2)20(18)29-3)24-22-23-13-14-9-10-26(21(14)25-22)16-5-7-17(30-4)8-6-16/h5-13H,1-4H3,(H,23,24,25)
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n/an/a 831n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184029
PNG
(CHEMBL380424 | N-(3-hydroxypropyl)-3-(2-(3,4,5-tri...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCCO)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C25H27N5O5/c1-33-20-13-18(14-21(34-2)22(20)35-3)28-25-27-15-17-8-10-30(23(17)29-25)19-7-4-6-16(12-19)24(32)26-9-5-11-31/h4,6-8,10,12-15,31H,5,9,11H2,1-3H3,(H,26,32)(H,27,28,29)
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n/an/a 882n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184042
PNG
(CHEMBL208000 | N-(4-(dimethylamino)butyl)-3-(2-(3,...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NCCCCN(C)C)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C28H34N6O4/c1-33(2)13-7-6-12-29-27(35)19-9-8-10-22(15-19)34-14-11-20-18-30-28(32-26(20)34)31-21-16-23(36-3)25(38-5)24(17-21)37-4/h8-11,14-18H,6-7,12-13H2,1-5H3,(H,29,35)(H,30,31,32)
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n/an/a 983n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184031
PNG
(CHEMBL379969 | N-(3-aminopropyl)-2-(3-(2-(3,4,5-tr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCCN)c4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C26H30N6O4/c1-34-21-14-19(15-22(35-2)24(21)36-3)30-26-29-16-18-8-11-32(25(18)31-26)20-7-4-6-17(12-20)13-23(33)28-10-5-9-27/h4,6-8,11-12,14-16H,5,9-10,13,27H2,1-3H3,(H,28,33)(H,29,30,31)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184012
PNG
(CHEMBL381374 | methyl 3-(2-(3,4,5-trimethoxyphenyl...)
Show SMILES COC(=O)c1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C23H22N4O5/c1-29-18-11-16(12-19(30-2)20(18)31-3)25-23-24-13-15-8-9-27(21(15)26-23)17-7-5-6-14(10-17)22(28)32-4/h5-13H,1-4H3,(H,24,25,26)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50184030
PNG
(7-(4-(trifluoromethyl)phenyl)-N-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccc(cc4)C(F)(F)F)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C22H19F3N4O3/c1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-8-9-29(20(13)28-21)16-6-4-14(5-7-16)22(23,24)25/h4-12H,1-3H3,(H,26,27,28)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183994
PNG
(7-(4-ethylphenyl)-N-(3,4,5-trimethoxyphenyl)-7H-py...)
Show SMILES CCc1ccc(cc1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C23H24N4O3/c1-5-15-6-8-18(9-7-15)27-11-10-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3/h6-14H,5H2,1-4H3,(H,24,25,26)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50183985
PNG
(CHEMBL383263 | N-methyl-2-(3-(2-(3,4,5-trimethoxyp...)
Show SMILES CNC(=O)Cc1cccc(c1)-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc12
Show InChI InChI=1S/C24H25N5O4/c1-25-21(30)11-15-6-5-7-18(10-15)29-9-8-16-14-26-24(28-23(16)29)27-17-12-19(31-2)22(33-4)20(13-17)32-3/h5-10,12-14H,11H2,1-4H3,(H,25,30)(H,26,27,28)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Inhibition of FAK


Bioorg Med Chem Lett 16: 2689-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.032
BindingDB Entry DOI: 10.7270/Q2NK3DN0
More data for this
Ligand-Target Pair
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