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Compile Data Set for Download or QSAR

Found 2566 hits Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1/vascular endothelial growth factor receptor 3'   
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))
BDBM50304203
PNG
(2-(4-(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propo...)
Show SMILES COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H31N5O3S/c1-34-13-15-35(16-14-34)12-5-17-37-27-19-25-23(18-26(27)36-2)29(32-20-31-25)38-22-10-8-21(9-11-22)30-33-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3
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n/an/an/an/a 60n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304202
PNG
(CHEMBL604483 | N-Methyl-N-[4-(benzo[d]thiazol-2''-...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30FN5O3S/c1-35-11-13-36(14-12-35)10-5-15-38-27-18-24-21(17-26(27)37-2)29(33-19-32-24)39-25-9-8-20(16-22(25)31)30-34-23-6-3-4-7-28(23)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3
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n/an/an/an/a 780n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304204
PNG
(2-(4-(6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quin...)
Show SMILES COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C29H28N4O3S/c1-34-25-17-22-24(18-26(25)35-16-6-15-33-13-4-5-14-33)30-19-31-28(22)36-21-11-9-20(10-12-21)29-32-23-7-2-3-8-27(23)37-29/h2-3,7-12,17-19H,4-6,13-16H2,1H3
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n/an/an/an/a 800n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304199
PNG
(CHEMBL604992 | N-[4-(6''-Methoxybenzo[d]thiazol-2'...)
Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-25-23(17-26(27)38-2)29(33-19-32-25)34-22-7-4-20(5-8-22)30-35-24-9-6-21(31)16-28(24)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304193
PNG
(CHEMBL593221 | N-[4-(Benzo[d]thiazol-2''-yl)-2-hyd...)
Show SMILES COc1cc(ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-22(18-27(28)39-3)30(33-20-32-25)34-23-10-9-21(17-26(23)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304201
PNG
(CHEMBL593908 | N-[4-(5''-Chlorobenzo[d]thiazol-2''...)
Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4cc(ccc4s3)C(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H31F3N6O2S/c1-39-11-13-40(14-12-39)10-3-15-42-27-18-24-23(17-26(27)41-2)29(36-19-35-24)37-22-7-4-20(5-8-22)30-38-25-16-21(31(32,33)34)6-9-28(25)43-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,35,36,37)
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n/an/an/an/a>1.00E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304200
PNG
(CHEMBL596292 | N-[4-(6''-Chlorobenzo[d]thiazol-2''...)
Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-24-23(17-26(27)38-2)29(33-19-32-24)34-22-7-4-20(5-8-22)30-35-25-16-21(31)6-9-28(25)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304195
PNG
(CHEMBL606466 | N-[4-(Benzo[d]thiazol-2''-yl)-3-met...)
Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H32N6O3S/c1-35-11-13-36(14-12-35)10-5-15-39-27-18-24-22(17-26(27)38-2)29(32-19-31-24)33-20-8-9-21(25(37)16-20)30-34-23-6-3-4-7-28(23)40-30/h3-4,6-9,16-19,37H,5,10-15H2,1-2H3,(H,31,32,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304196
PNG
(CHEMBL593860 | N-[4-(Benzo[d]thiazol-2''-yl)-3-hyd...)
Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-23(18-27(28)39-3)30(33-20-32-25)34-21-9-10-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304194
PNG
(CHEMBL594228 | N-[4-(Benzo[d]thiazol-2''-yl)-2-(tr...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-21(17-26(27)38-2)29(33-19-32-25)34-23-9-8-20(16-22(23)31)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)
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n/an/an/an/a 1.30E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304198
PNG
(CHEMBL593274 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...)
Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)
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n/an/an/an/a 1.40E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304197
PNG
(CHEMBL593987 | N-(4-(benzo[d]thiazol-2-yl)-3-fluor...)
Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34)
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n/an/an/an/a 2.60E+4n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 in human HCT116 cells by cellular phosphorylation assay


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
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<0.300n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR3 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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17n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR3 (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50020310
PNG
(CHEMBL3288854)
Show SMILES CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-14-20(13-18-17-12-16(24)4-5-19(17)26-23(18)31)25-15(2)22(14)27-21(30)6-7-29-10-8-28(3)9-11-29/h4-5,12-13,25H,6-11H2,1-3H3,(H,26,31)(H,27,30)/b18-13-
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530n/an/an/an/an/an/an/an/a



Qilu Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to FAK (unknown origin)


Eur J Med Chem 82: 139-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.051
BindingDB Entry DOI: 10.7270/Q2F1918D
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50331613
PNG
(CHEMBL1290177 | N-(4-chlorobenzyl)benzofuro[2,3-b]...)
Show SMILES Clc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C18H13ClN2O/c19-13-7-5-12(6-8-13)11-21-15-9-10-20-18-17(15)14-3-1-2-4-16(14)22-18/h1-10H,11H2,(H,20,21)
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680n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FAK


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50331618
PNG
(CHEMBL1289976 | N-benzylbenzofuro[2,3-b]pyridin-4-...)
Show SMILES C(Nc1ccnc2oc3ccccc3c12)c1ccccc1
Show InChI InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-20-15-10-11-19-18-17(15)14-8-4-5-9-16(14)21-18/h1-11H,12H2,(H,19,20)
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1.09E+3n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50331616
PNG
(CHEMBL1290071 | N-(naphthalen-1-ylmethyl)benzofuro...)
Show SMILES C(Nc1ccnc2oc3ccccc3c12)c1cccc2ccccc12
Show InChI InChI=1S/C22H16N2O/c1-2-9-17-15(6-1)7-5-8-16(17)14-24-19-12-13-23-22-21(19)18-10-3-4-11-20(18)25-22/h1-13H,14H2,(H,23,24)
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1.09E+3n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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PubMed
6.85E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50331617
PNG
(CHEMBL1289977 | N-phenethylbenzofuro[2,3-b]pyridin...)
Show SMILES C(Cc1ccccc1)Nc1ccnc2oc3ccccc3c12
Show InChI InChI=1S/C19H16N2O/c1-2-6-14(7-3-1)10-12-20-16-11-13-21-19-18(16)15-8-4-5-9-17(15)22-19/h1-9,11,13H,10,12H2,(H,20,21)
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9.39E+3n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50331614
PNG
(CHEMBL1290178 | N-(pyridin-3-ylmethyl)benzofuro[2,...)
Show SMILES C(Nc1ccnc2oc3ccccc3c12)c1cccnc1
Show InChI InChI=1S/C17H13N3O/c1-2-6-15-13(5-1)16-14(7-9-19-17(16)21-15)20-11-12-4-3-8-18-10-12/h1-10H,11H2,(H,19,20)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50331615
PNG
(CHEMBL1290073 | N-(3-chlorobenzyl)benzofuro[2,3-b]...)
Show SMILES Clc1cccc(CNc2ccnc3oc4ccccc4c23)c1
Show InChI InChI=1S/C18H13ClN2O/c19-13-5-3-4-12(10-13)11-21-15-8-9-20-18-17(15)14-6-1-2-7-16(14)22-18/h1-10H,11H2,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440358
PNG
(CHEMBL2425156)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C
Show InChI InChI=1S/C26H27N5O/c1-18-7-13-22(14-8-18)31-24(16-23(30-31)26(2,3)4)29-25(32)28-21-11-9-19(10-12-21)20-6-5-15-27-17-20/h5-17H,1-4H3,(H2,28,29,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440365
PNG
(CHEMBL2425149)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C24H24Cl2N6O/c1-15-5-9-18(10-6-15)32-20(13-19(30-32)24(2,3)4)29-23(33)28-16-7-11-17(12-8-16)31-14-27-21(25)22(31)26/h5-14H,1-4H3,(H2,28,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440368
PNG
(CHEMBL2425146)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C
Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440369
PNG
(CHEMBL2425145)
Show SMILES Cc1cn(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-15-18(2)26-16-30/h6-16H,1-5H3,(H2,27,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440370
PNG
(CHEMBL2425144)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C
Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)
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n/an/a 750n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440353
PNG
(CHEMBL2425161)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(OCc2ccccc2)nc1)C(C)(C)C
Show InChI InChI=1S/C33H33N5O2/c1-23-10-17-28(18-11-23)38-30(20-29(37-38)33(2,3)4)36-32(39)35-27-15-12-25(13-16-27)26-14-19-31(34-21-26)40-22-24-8-6-5-7-9-24/h5-21H,22H2,1-4H3,(H2,35,36,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440354
PNG
(CHEMBL2425160)
Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440355
PNG
(CHEMBL2425159)
Show SMILES COc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H30N6O3/c1-17-7-13-20(14-8-17)33-22(15-21(32-33)27(2,3)4)29-26(34)28-19-11-9-18(10-12-19)25-30-23(35-5)16-24(31-25)36-6/h7-16H,1-6H3,(H2,28,29,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440356
PNG
(CHEMBL2425158)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccncc1)C(C)(C)C
Show InChI InChI=1S/C26H27N5O/c1-18-5-11-22(12-6-18)31-24(17-23(30-31)26(2,3)4)29-25(32)28-21-9-7-19(8-10-21)20-13-15-27-16-14-20/h5-17H,1-4H3,(H2,28,29,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440357
PNG
(CHEMBL2425157)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(N)nc1)C(C)(C)C
Show InChI InChI=1S/C26H28N6O/c1-17-5-12-21(13-6-17)32-24(15-22(31-32)26(2,3)4)30-25(33)29-20-10-7-18(8-11-20)19-9-14-23(27)28-16-19/h5-16H,1-4H3,(H2,27,28)(H2,29,30,33)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440358
PNG
(CHEMBL2425156)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C
Show InChI InChI=1S/C26H27N5O/c1-18-7-13-22(14-8-18)31-24(16-23(30-31)26(2,3)4)29-25(32)28-21-11-9-19(10-12-21)20-6-5-15-27-17-20/h5-17H,1-4H3,(H2,28,29,32)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440359
PNG
(CHEMBL2425155)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1nncn1C)C(C)(C)C
Show InChI InChI=1S/C24H27N7O/c1-16-6-12-19(13-7-16)31-21(14-20(29-31)24(2,3)4)27-23(32)26-18-10-8-17(9-11-18)22-28-25-15-30(22)5/h6-15H,1-5H3,(H2,26,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440360
PNG
(CHEMBL2425154)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnn1)C(C)(C)C
Show InChI InChI=1S/C22H24N8O/c1-15-5-9-18(10-6-15)30-20(13-19(26-30)22(2,3)4)25-21(31)24-16-7-11-17(12-8-16)29-14-23-27-28-29/h5-14H,1-4H3,(H2,24,25,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440361
PNG
(CHEMBL2425153)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cnco1)C(C)(C)C
Show InChI InChI=1S/C24H25N5O2/c1-16-5-11-19(12-6-16)29-22(13-21(28-29)24(2,3)4)27-23(30)26-18-9-7-17(8-10-18)20-14-25-15-31-20/h5-15H,1-4H3,(H2,26,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440362
PNG
(CHEMBL2425152)
Show SMILES Cc1nnnn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C23H26N8O/c1-15-6-10-19(11-7-15)31-21(14-20(27-31)23(3,4)5)25-22(32)24-17-8-12-18(13-9-17)30-16(2)26-28-29-30/h6-14H,1-5H3,(H2,24,25,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440363
PNG
(CHEMBL2425151)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1csnn1)C(C)(C)C
Show InChI InChI=1S/C23H24N6OS/c1-15-5-11-18(12-6-15)29-21(13-20(27-29)23(2,3)4)25-22(30)24-17-9-7-16(8-10-17)19-14-31-28-26-19/h5-14H,1-4H3,(H2,24,25,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440364
PNG
(CHEMBL2425150)
Show SMILES Cc1cncn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-16-26-15-18(30)2/h6-16H,1-5H3,(H2,27,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440365
PNG
(CHEMBL2425149)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C24H24Cl2N6O/c1-15-5-9-18(10-6-15)32-20(13-19(30-32)24(2,3)4)29-23(33)28-16-7-11-17(12-8-16)31-14-27-21(25)22(31)26/h5-14H,1-4H3,(H2,28,29,33)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440366
PNG
(CHEMBL2425148)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1n[nH]c(=S)n1C)C(C)(C)C
Show InChI InChI=1S/C24H27N7OS/c1-15-6-12-18(13-7-15)31-20(14-19(29-31)24(2,3)4)26-22(32)25-17-10-8-16(9-11-17)21-27-28-23(33)30(21)5/h6-14H,1-5H3,(H,28,33)(H2,25,26,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440367
PNG
(CHEMBL2425147)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnc1)C(C)(C)C
Show InChI InChI=1S/C23H25N7O/c1-16-5-9-19(10-6-16)30-21(13-20(28-30)23(2,3)4)27-22(31)26-17-7-11-18(12-8-17)29-14-24-25-15-29/h5-15H,1-4H3,(H2,26,27,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440368
PNG
(CHEMBL2425146)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C
Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440369
PNG
(CHEMBL2425145)
Show SMILES Cc1cn(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-15-18(2)26-16-30/h6-16H,1-5H3,(H2,27,28,32)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440370
PNG
(CHEMBL2425144)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C
Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)
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n/an/a 266n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440353
PNG
(CHEMBL2425161)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(OCc2ccccc2)nc1)C(C)(C)C
Show InChI InChI=1S/C33H33N5O2/c1-23-10-17-28(18-11-23)38-30(20-29(37-38)33(2,3)4)36-32(39)35-27-15-12-25(13-16-27)26-14-19-31(34-21-26)40-22-24-8-6-5-7-9-24/h5-21H,22H2,1-4H3,(H2,35,36,39)
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n/an/an/a>2.50E+4n/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440354
PNG
(CHEMBL2425160)
Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)
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n/an/an/a>1.00E+5n/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50440355
PNG
(CHEMBL2425159)
Show SMILES COc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C27H30N6O3/c1-17-7-13-20(14-8-17)33-22(15-21(32-33)27(2,3)4)29-26(34)28-19-11-9-18(10-12-19)25-30-23(35-5)16-24(31-25)36-6/h7-16H,1-6H3,(H2,28,29,34)
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n/an/an/a 9.63E+3n/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 5401-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.050
BindingDB Entry DOI: 10.7270/Q2891782
More data for this
Ligand-Target Pair
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