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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50042411   
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/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425681
PNG
(CHEMBL2315564)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C22H16FN5O/c1-25-22(29)16-4-2-3-5-18(16)27-20-14(11-24)12-26-21-17(20)10-19(28-21)13-6-8-15(23)9-7-13/h2-10,12H,1H3,(H,25,29)(H2,26,27,28)
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n/an/a 37n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425672
PNG
(CHEMBL2315584)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H19F4N5O2S/c1-31(34(2,32)33)21-14(4-3-9-27-21)11-28-19-16-10-18(13-5-7-15(23)8-6-13)30-20(16)29-12-17(19)22(24,25)26/h3-10,12H,11H2,1-2H3,(H2,28,29,30)
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n/an/a 37n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425687
PNG
(CHEMBL2315565)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-30-25(35)18-4-2-3-5-21(18)32-23-19-14-22(33-24(19)31-15-20(23)26(27,28)29)16-6-8-17(9-7-16)34-10-12-36-13-11-34/h2-9,14-15H,10-13H2,1H3,(H,30,35)(H2,31,32,33)
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n/an/a 45n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425686
PNG
(CHEMBL2315566)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-29-24(35)16-4-2-3-5-19(16)32-22-17-12-20(33-23(17)31-14-18(22)25(26,27)28)15-6-7-21(30-13-15)34-8-10-36-11-9-34/h2-7,12-14H,8-11H2,1H3,(H,29,35)(H2,31,32,33)
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n/an/a 45n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425679
PNG
(CHEMBL2315562)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N4O/c1-27-21(31)14-4-2-3-5-17(14)29-19-15-10-18(12-6-8-13(23)9-7-12)30-20(15)28-11-16(19)22(24,25)26/h2-11H,1H3,(H,27,31)(H2,28,29,30)
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n/an/a 51n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425688
PNG
(CHEMBL2315563)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O/c1-25-20(30)13-6-2-3-7-16(13)28-18-14-9-17(12-5-4-8-26-10-12)29-19(14)27-11-15(18)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a 57n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425687
PNG
(CHEMBL2315565)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O2/c1-30-25(35)18-4-2-3-5-21(18)32-23-19-14-22(33-24(19)31-15-20(23)26(27,28)29)16-6-8-17(9-7-16)34-10-12-36-13-11-34/h2-9,14-15H,10-13H2,1H3,(H,30,35)(H2,31,32,33)
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n/an/a 83n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425686
PNG
(CHEMBL2315566)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-29-24(35)16-4-2-3-5-19(16)32-22-17-12-20(33-23(17)31-14-18(22)25(26,27)28)15-6-7-21(30-13-15)34-8-10-36-11-9-34/h2-7,12-14H,8-11H2,1H3,(H,29,35)(H2,31,32,33)
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n/an/a 107n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425685
PNG
(CHEMBL2315572)
Show SMILES CN(c1ncccc1CNc1c(cnc2nc([nH]c12)-c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H18F4N6O2S/c1-31(34(2,32)33)20-13(4-3-9-26-20)10-27-16-15(21(23,24)25)11-28-19-17(16)29-18(30-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,27,28,29,30)
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n/an/a 130n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425684
PNG
(CHEMBL2315571)
Show SMILES CNC(=O)c1ccccc1Nc1c(Br)cnc2nc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15BrFN5O/c1-23-20(28)13-4-2-3-5-15(13)25-16-14(21)10-24-19-17(16)26-18(27-19)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,23,28)(H2,24,25,26,27)
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n/an/a 170n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425673
PNG
(CHEMBL2315580)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)
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n/an/a 177n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425675
PNG
(CHEMBL2315579)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccccc1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27)
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n/an/a 195n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425667
PNG
(CHEMBL2315583)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccnc(C)c1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H21N7O2S/c1-14-9-15(6-8-24-14)19-10-18-20(17(11-23)13-27-21(18)28-19)26-12-16-5-4-7-25-22(16)29(2)32(3,30)31/h4-10,13H,12H2,1-3H3,(H2,26,27,28)
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n/an/a 220n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425681
PNG
(CHEMBL2315564)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C22H16FN5O/c1-25-22(29)16-4-2-3-5-18(16)27-20-14(11-24)12-26-21-17(20)10-19(28-21)13-6-8-15(23)9-7-13/h2-10,12H,1H3,(H,25,29)(H2,26,27,28)
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n/an/a 365n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425679
PNG
(CHEMBL2315562)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N4O/c1-27-21(31)14-4-2-3-5-17(14)29-19-15-10-18(12-6-8-13(23)9-7-12)30-20(15)28-11-16(19)22(24,25)26/h2-11H,1H3,(H,27,31)(H2,28,29,30)
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n/an/a 552n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425678
PNG
(CHEMBL2315567)
Show SMILES Fc1cc(F)cc(Nc2c(cnc3[nH]c(cc23)-c2ccc(cc2)N2CCOCC2)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F5N4O/c25-15-9-16(26)11-17(10-15)31-22-19-12-21(32-23(19)30-13-20(22)24(27,28)29)14-1-3-18(4-2-14)33-5-7-34-8-6-33/h1-4,9-13H,5-8H2,(H2,30,31,32)
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n/an/a 640n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425677
PNG
(CHEMBL2315573)
Show SMILES CN(c1ncccc1CNc1c(cnc2nc([nH]c12)-c1ccc(Br)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H18BrF3N6O2S/c1-31(34(2,32)33)20-13(4-3-9-26-20)10-27-16-15(21(23,24)25)11-28-19-17(16)29-18(30-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,27,28,29,30)
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n/an/a 700n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425676
PNG
(CHEMBL2315577)
Show SMILES CN(c1ncccc1CNc1c(C)cnc2[nH]c(cc12)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H22FN5O2S/c1-14-12-26-21-18(11-19(27-21)15-6-8-17(23)9-7-15)20(14)25-13-16-5-4-10-24-22(16)28(2)31(3,29)30/h4-12H,13H2,1-3H3,(H2,25,26,27)
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n/an/a 910n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425675
PNG
(CHEMBL2315579)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccccc1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425673
PNG
(CHEMBL2315580)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425672
PNG
(CHEMBL2315584)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C22H19F4N5O2S/c1-31(34(2,32)33)21-14(4-3-9-27-21)11-28-19-16-10-18(13-5-7-15(23)8-6-13)30-20(16)29-12-17(19)22(24,25)26/h3-10,12H,11H2,1-2H3,(H2,28,29,30)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425671
PNG
(CHEMBL2315578)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]ccc12)C#N)S(C)(=O)=O
Show InChI InChI=1S/C16H16N6O2S/c1-22(25(2,23)24)16-11(4-3-6-19-16)9-20-14-12(8-17)10-21-15-13(14)5-7-18-15/h3-7,10H,9H2,1-2H3,(H2,18,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425670
PNG
(CHEMBL2315561)
Show SMILES CN(c1ncccc1CNc1c(Br)cnc2nc([nH]c12)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18BrFN6O2S/c1-28(31(2,29)30)20-13(4-3-9-23-20)10-24-16-15(21)11-25-19-17(16)26-18(27-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,24,25,26,27)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425668
PNG
(CHEMBL2315576)
Show SMILES CN(c1ncccc1CNc1ccnc2[nH]c(cc12)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H20FN5O2S/c1-27(30(2,28)29)21-15(4-3-10-24-21)13-25-18-9-11-23-20-17(18)12-19(26-20)14-5-7-16(22)8-6-14/h3-12H,13H2,1-2H3,(H2,23,25,26)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425667
PNG
(CHEMBL2315583)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccnc(C)c1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H21N7O2S/c1-14-9-15(6-8-24-14)19-10-18-20(17(11-23)13-27-21(18)28-19)26-12-16-5-4-7-25-22(16)29(2)32(3,30)31/h4-10,13H,12H2,1-3H3,(H2,26,27,28)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425666
PNG
(CHEMBL2315575)
Show SMILES CN(c1ncccc1CNc1c(C)cnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C16H19N5O2S/c1-11-9-20-15-13(6-8-17-15)14(11)19-10-12-5-4-7-18-16(12)21(2)24(3,22)23/h4-9H,10H2,1-3H3,(H2,17,19,20)
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n/an/a 8.80E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425664
PNG
(CHEMBL2315559)
Show SMILES CN(c1ncccc1CNc1ncnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C14H16N6O2S/c1-20(23(2,21)22)14-10(4-3-6-16-14)8-17-13-11-5-7-15-12(11)18-9-19-13/h3-7,9H,8H2,1-2H3,(H2,15,17,18,19)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425670
PNG
(CHEMBL2315561)
Show SMILES CN(c1ncccc1CNc1c(Br)cnc2nc([nH]c12)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18BrFN6O2S/c1-28(31(2,29)30)20-13(4-3-9-23-20)10-24-16-15(21)11-25-19-17(16)26-18(27-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425677
PNG
(CHEMBL2315573)
Show SMILES CN(c1ncccc1CNc1c(cnc2nc([nH]c12)-c1ccc(Br)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H18BrF3N6O2S/c1-31(34(2,32)33)20-13(4-3-9-26-20)10-27-16-15(21(23,24)25)11-28-19-17(16)29-18(30-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,27,28,29,30)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425684
PNG
(CHEMBL2315571)
Show SMILES CNC(=O)c1ccccc1Nc1c(Br)cnc2nc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H15BrFN5O/c1-23-20(28)13-4-2-3-5-15(13)25-16-14(21)10-24-19-17(16)26-18(27-19)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,23,28)(H2,24,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425689
PNG
(CHEMBL2315570)
Show SMILES Fc1ccc(cc1)-c1cc2c(NCc3cc(F)ccc3F)c(cnc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H13F6N3/c22-13-3-1-11(2-4-13)18-8-15-19(16(21(25,26)27)10-29-20(15)30-18)28-9-12-7-14(23)5-6-17(12)24/h1-8,10H,9H2,(H2,28,29,30)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425683
PNG
(CHEMBL2315569)
Show SMILES CN1Cc2cccc(Nc3c(cnc4[nH]c(cc34)-c3ccc(F)cc3)C(F)(F)F)c2C1=O
Show InChI InChI=1S/C23H16F4N4O/c1-31-11-13-3-2-4-17(19(13)22(31)32)29-20-15-9-18(12-5-7-14(24)8-6-12)30-21(15)28-10-16(20)23(25,26)27/h2-10H,11H2,1H3,(H2,28,29,30)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425674
PNG
(CHEMBL2315568)
Show SMILES COc1cc(ccc1-c1cc2c(Nc3ccccc3C#N)c(cnc2[nH]1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H22F3N5O2/c1-35-23-12-17(34-8-10-36-11-9-34)6-7-18(23)22-13-19-24(32-21-5-3-2-4-16(21)14-30)20(26(27,28)29)15-31-25(19)33-22/h2-7,12-13,15H,8-11H2,1H3,(H2,31,32,33)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425680
PNG
(CHEMBL2315582)
Show SMILES CCCCc1ccc(cc1)-c1cc2c(NCc3cccnc3N(C)S(C)(=O)=O)c(cnc2[nH]1)C#N
Show InChI InChI=1S/C26H28N6O2S/c1-4-5-7-18-9-11-19(12-10-18)23-14-22-24(21(15-27)17-30-25(22)31-23)29-16-20-8-6-13-28-26(20)32(2)35(3,33)34/h6,8-14,17H,4-5,7,16H2,1-3H3,(H2,29,30,31)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425682
PNG
(CHEMBL2315581)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)C1CCCCC1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H26N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h6,9-11,14-15H,3-5,7-8,13H2,1-2H3,(H2,25,26,27)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425669
PNG
(CHEMBL2315574)
Show SMILES CN(c1ncccc1CNc1ccnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C15H17N5O2S/c1-20(23(2,21)22)15-11(4-3-7-18-15)10-19-13-6-9-17-14-12(13)5-8-16-14/h3-9H,10H2,1-2H3,(H2,16,17,19)
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Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425685
PNG
(CHEMBL2315572)
Show SMILES CN(c1ncccc1CNc1c(cnc2nc([nH]c12)-c1ccc(F)cc1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H18F4N6O2S/c1-31(34(2,32)33)20-13(4-3-9-26-20)10-27-16-15(21(23,24)25)11-28-19-17(16)29-18(30-19)12-5-7-14(22)8-6-12/h3-9,11H,10H2,1-2H3,(H2,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425688
PNG
(CHEMBL2315563)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5O/c1-25-20(30)13-6-2-3-7-16(13)28-18-14-9-17(12-5-4-8-26-10-12)29-19(14)27-11-15(18)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425671
PNG
(CHEMBL2315578)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]ccc12)C#N)S(C)(=O)=O
Show InChI InChI=1S/C16H16N6O2S/c1-22(25(2,23)24)16-11(4-3-6-19-16)9-20-14-12(8-17)10-21-15-13(14)5-7-18-15/h3-7,10H,9H2,1-2H3,(H2,18,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425676
PNG
(CHEMBL2315577)
Show SMILES CN(c1ncccc1CNc1c(C)cnc2[nH]c(cc12)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H22FN5O2S/c1-14-12-26-21-18(11-19(27-21)15-6-8-17(23)9-7-15)20(14)25-13-16-5-4-10-24-22(16)28(2)31(3,29)30/h4-12H,13H2,1-3H3,(H2,25,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425668
PNG
(CHEMBL2315576)
Show SMILES CN(c1ncccc1CNc1ccnc2[nH]c(cc12)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H20FN5O2S/c1-27(30(2,28)29)21-15(4-3-10-24-21)13-25-18-9-11-23-20-17(18)12-19(26-20)14-5-7-16(22)8-6-14/h3-12H,13H2,1-2H3,(H2,23,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425666
PNG
(CHEMBL2315575)
Show SMILES CN(c1ncccc1CNc1c(C)cnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C16H19N5O2S/c1-11-9-20-15-13(6-8-17-15)14(11)19-10-12-5-4-7-18-16(12)21(2)24(3,22)23/h4-9H,10H2,1-3H3,(H2,17,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425663
PNG
(CHEMBL2315558)
Show SMILES CN(c1ncccc1CNc1ncnc2[nH]c(C)cc12)S(C)(=O)=O
Show InChI InChI=1S/C15H18N6O2S/c1-10-7-12-13(18-9-19-14(12)20-10)17-8-11-5-4-6-16-15(11)21(2)24(3,22)23/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)
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n/an/an/a 5.70E+4n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425686
PNG
(CHEMBL2315566)
Show SMILES CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-29-24(35)16-4-2-3-5-19(16)32-22-17-12-20(33-23(17)31-14-18(22)25(26,27)28)15-6-7-21(30-13-15)34-8-10-36-11-9-34/h2-7,12-14H,8-11H2,1H3,(H,29,35)(H2,31,32,33)
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n/an/an/a 9n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425665
PNG
(CHEMBL2315560)
Show SMILES Fc1ccccc1Nc1ncnc2n[nH]cc12
Show InChI InChI=1S/C11H8FN5/c12-8-3-1-2-4-9(8)16-10-7-5-15-17-11(7)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
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n/an/an/a 4.30E+4n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425668
PNG
(CHEMBL2315576)
Show SMILES CN(c1ncccc1CNc1ccnc2[nH]c(cc12)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H20FN5O2S/c1-27(30(2,28)29)21-15(4-3-10-24-21)13-25-18-9-11-23-20-17(18)12-19(26-20)14-5-7-16(22)8-6-14/h3-12H,13H2,1-2H3,(H2,23,25,26)
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n/an/an/a 6.38E+3n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425669
PNG
(CHEMBL2315574)
Show SMILES CN(c1ncccc1CNc1ccnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C15H17N5O2S/c1-20(23(2,21)22)15-11(4-3-7-18-15)10-19-13-6-9-17-14-12(13)5-8-16-14/h3-9H,10H2,1-2H3,(H2,16,17,19)
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n/an/an/a 4.76E+3n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425666
PNG
(CHEMBL2315575)
Show SMILES CN(c1ncccc1CNc1c(C)cnc2[nH]ccc12)S(C)(=O)=O
Show InChI InChI=1S/C16H19N5O2S/c1-11-9-20-15-13(6-8-17-15)14(11)19-10-12-5-4-7-18-16(12)21(2)24(3,22)23/h4-9H,10H2,1-3H3,(H2,17,19,20)
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n/an/an/a 1.70E+3n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425674
PNG
(CHEMBL2315568)
Show SMILES COc1cc(ccc1-c1cc2c(Nc3ccccc3C#N)c(cnc2[nH]1)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C26H22F3N5O2/c1-35-23-12-17(34-8-10-36-11-9-34)6-7-18(23)22-13-19-24(32-21-5-3-2-4-16(21)14-30)20(26(27,28)29)15-31-25(19)33-22/h2-7,12-13,15H,8-11H2,1H3,(H2,31,32,33)
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n/an/an/a 1.13E+3n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50425673
PNG
(CHEMBL2315580)
Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O
Show InChI InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)
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n/an/an/a 603n/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis


J Med Chem 56: 1160-70 (2013)


Article DOI: 10.1021/jm3016014
BindingDB Entry DOI: 10.7270/Q2GT5PGP
More data for this
Ligand-Target Pair
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