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Compile Data Set for Download or QSAR

Found 74 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 1771   
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
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339838
PNG
(US9757364, Compound 39)
Show SMILES COc1cc(OC)cc(c1)N(Cc1c[nH]cn1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23N7O2/c1-30-13-17(11-28-30)16-6-23-22(26-10-16)4-5-24(29-23)31(14-18-12-25-15-27-18)19-7-20(32-2)9-21(8-19)33-3/h4-13,15H,14H2,1-3H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.912n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339850
PNG
(US9757364, Compound 49)
Show SMILES COc1cc(OC)c(F)c(N(Cc2nnc[nH]2)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C23H20F2N8O2/c1-32-10-14(9-29-32)13-6-16-15(26-8-13)4-5-20(30-16)33(11-19-27-12-28-31-19)23-21(24)17(34-2)7-18(35-3)22(23)25/h4-10,12H,11H2,1-3H3,(H,27,28,31)
PDB

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UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.933n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339843
PNG
(US9757364, Compound 42 | US9757364, Compound 44)
Show SMILES COc1cc(OC)c(F)c(N(CC2CCC(=O)N2)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C25H24F2N6O3/c1-32-12-15(11-29-32)14-8-18-17(28-10-14)5-6-21(31-18)33(13-16-4-7-22(34)30-16)25-23(26)19(35-2)9-20(36-3)24(25)27/h5-6,8-12,16H,4,7,13H2,1-3H3,(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339803
PNG
(US9757364, Compound 10)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23N7O2/c1-30-14-17(13-28-30)16-8-22-21(27-12-16)4-5-24(29-22)31(15-23-25-6-7-26-23)18-9-19(32-2)11-20(10-18)33-3/h4-14H,15H2,1-3H3,(H,25,26)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339823
PNG
(US9757364, Compound 16)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C24H22ClN7O2/c1-31-13-15(11-29-31)19-12-28-20-4-5-22(30-24(20)23(19)25)32(14-21-26-6-7-27-21)16-8-17(33-2)10-18(9-16)34-3/h4-13H,14H2,1-3H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.02n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339849
PNG
(US9757364, Compound 48)
Show SMILES COc1cc(OC)c(F)c(c1)N(Cc1nnc[nH]1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H21FN8O2/c1-31-11-15(10-28-31)14-6-18-17(25-9-14)4-5-22(29-18)32(12-21-26-13-27-30-21)19-7-16(33-2)8-20(34-3)23(19)24/h4-11,13H,12H2,1-3H3,(H,26,27,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339811
PNG
(US9757364, Compound 65)
Show SMILES COc1cc(OC)c(F)c(N(Cc2ncc[nH]2)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C24H21F2N7O2/c1-32-12-15(11-30-32)14-8-17-16(29-10-14)4-5-21(31-17)33(13-20-27-6-7-28-20)24-22(25)18(34-2)9-19(35-3)23(24)26/h4-12H,13H2,1-3H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.15n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339843
PNG
(US9757364, Compound 42 | US9757364, Compound 44)
Show SMILES COc1cc(OC)c(F)c(N(CC2CCC(=O)N2)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C25H24F2N6O3/c1-32-12-15(11-29-32)14-8-18-17(28-10-14)5-6-21(31-18)33(13-16-4-7-22(34)30-16)25-23(26)19(35-2)9-20(36-3)24(25)27/h5-6,8-12,16H,4,7,13H2,1-3H3,(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339869
PNG
(US9757364, Compound 57)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCCC#N)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23FN6O2/c1-30-15-17(14-28-30)16-10-20-19(27-13-16)6-7-23(29-20)31(9-5-4-8-26)21-11-18(32-2)12-22(33-3)24(21)25/h6-7,10-15H,4-5,9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339810
PNG
(US9757364, Compound 22)
Show SMILES COc1cc(OC)c(F)c(N(CCCO)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C23H23F2N5O3/c1-29-13-15(12-27-29)14-9-17-16(26-11-14)5-6-20(28-17)30(7-4-8-31)23-21(24)18(32-2)10-19(33-3)22(23)25/h5-6,9-13,31H,4,7-8H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.45n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339871
PNG
(US9757364, Compound 55)
Show SMILES COc1cc(OC)c(F)c(c1)N(Cc1cc[nH]n1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H22FN7O2/c1-31-13-16(12-28-31)15-8-20-19(26-11-15)4-5-23(29-20)32(14-17-6-7-27-30-17)21-9-18(33-2)10-22(34-3)24(21)25/h4-13H,14H2,1-3H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.48n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339848
PNG
(US9757364, Compound 47)
Show SMILES COc1cc(OC)cc(c1)N(Cc1nnc[nH]1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H22N8O2/c1-30-12-16(11-27-30)15-6-21-20(24-10-15)4-5-23(28-21)31(13-22-25-14-26-29-22)17-7-18(32-2)9-19(8-17)33-3/h4-12,14H,13H2,1-3H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.51n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339837
PNG
(US9757364, Compound 40 | US9757364, Compound 43)
Show SMILES COc1cc(OC)c(F)c(c1)N(CC1CCC(=O)N1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H25FN6O3/c1-31-13-16(12-28-31)15-8-20-19(27-11-15)5-6-23(30-20)32(14-17-4-7-24(33)29-17)21-9-18(34-2)10-22(35-3)25(21)26/h5-6,8-13,17H,4,7,14H2,1-3H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.86n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339834
PNG
(US9757364, Compound 35)
Show SMILES COc1cc(OC)c(F)c(N(CCOC(C)C)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C25H27F2N5O3/c1-15(2)35-9-8-32(25-23(26)20(33-4)11-21(34-5)24(25)27)22-7-6-18-19(30-22)10-16(12-28-18)17-13-29-31(3)14-17/h6-7,10-15H,8-9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.91n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339807
PNG
(US9757364, Compound 11)
Show SMILES COc1cc(OC)cc(c1)N(CCCO)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C23H24ClN5O3/c1-28-14-15(12-26-28)19-13-25-20-5-6-21(27-23(20)22(19)24)29(7-4-8-30)16-9-17(31-2)11-18(10-16)32-3/h5-6,9-14,30H,4,7-8H2,1-3H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339804
PNG
(US9757364, Compound 2)
Show SMILES COc1cc(OC)cc(c1)N(CCCO)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N5O3/c1-27-15-17(14-25-27)16-9-22-21(24-13-16)5-6-23(26-22)28(7-4-8-29)18-10-19(30-2)12-20(11-18)31-3/h5-6,9-15,29H,4,7-8H2,1-3H3
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339847
PNG
(US9757364, Compound 45)
Show SMILES COc1cc(OC)c(F)c(N(CC2CCCO2)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C25H25F2N5O3/c1-31-13-16(12-29-31)15-9-19-18(28-11-15)6-7-22(30-19)32(14-17-5-4-8-35-17)25-23(26)20(33-2)10-21(34-3)24(25)27/h6-7,9-13,17H,4-5,8,14H2,1-3H3
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.24n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339846
PNG
(US9757364, Compound 46)
Show SMILES CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1c(F)c(OC)cc(OC)c1F
Show InChI InChI=1S/C23H24F2N6O2/c1-26-7-8-31(23-21(24)18(32-3)10-19(33-4)22(23)25)20-6-5-16-17(29-20)9-14(11-27-16)15-12-28-30(2)13-15/h5-6,9-13,26H,7-8H2,1-4H3
PDB

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PC sid
UniChem
US Patent
n/an/a 2.24n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339837
PNG
(US9757364, Compound 40 | US9757364, Compound 43)
Show SMILES COc1cc(OC)c(F)c(c1)N(CC1CCC(=O)N1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H25FN6O3/c1-31-13-16(12-28-31)15-8-20-19(27-11-15)5-6-23(30-20)32(14-17-4-7-24(33)29-17)21-9-18(34-2)10-22(35-3)25(21)26/h5-6,8-13,17H,4,7,14H2,1-3H3,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.29n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339822
PNG
(US9757364, Compound 15)
Show SMILES COc1cc(OC)cc(c1)N(CCO)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C22H22ClN5O3/c1-27-13-14(11-25-27)18-12-24-19-4-5-20(26-22(19)21(18)23)28(6-7-29)15-8-16(30-2)10-17(9-15)31-3/h4-5,8-13,29H,6-7H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.45n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339808
PNG
(US9757364, Compound 64)
Show SMILES COc1cc(OC)c(F)c(N(Cc2nccn2S(=O)(=O)N(C)C)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C26H26F2N8O4S/c1-33(2)41(37,38)36-9-8-29-23(36)15-35(26-24(27)20(39-4)11-21(40-5)25(26)28)22-7-6-18-19(32-22)10-16(12-30-18)17-13-31-34(3)14-17/h6-14H,15H2,1-5H3
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n/an/a 2.88n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339812
PNG
(US9757364, Compound 26)
Show SMILES COc1cc(OC)c(F)c(N(CCNC(C)C)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C25H28F2N6O2/c1-15(2)28-8-9-33(25-23(26)20(34-4)11-21(35-5)24(25)27)22-7-6-18-19(31-22)10-16(12-29-18)17-13-30-32(3)14-17/h6-7,10-15,28H,8-9H2,1-5H3
PDB

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n/an/a 3.02n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339825
PNG
(US9757364, Compound 31)
Show SMILES COc1cc(OC)cc(c1)N(C1CCNCC1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H28N6O2/c1-30-16-18(15-28-30)17-10-24-23(27-14-17)4-5-25(29-24)31(19-6-8-26-9-7-19)20-11-21(32-2)13-22(12-20)33-3/h4-5,10-16,19,26H,6-9H2,1-3H3
PDB

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n/an/a 3.31n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339841
PNG
(US9757364, Compound 36)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCOC(C)C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H28FN5O3/c1-16(2)34-9-8-31(22-11-19(32-4)12-23(33-5)25(22)26)24-7-6-20-21(29-24)10-17(13-27-20)18-14-28-30(3)15-18/h6-7,10-16H,8-9H2,1-5H3
PDB

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n/an/a 3.55n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339868
PNG
(US9757364, Compound 62)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(cc2n1)-c1ccncc1
Show InChI InChI=1S/C25H22N6O2/c1-32-20-12-19(13-21(14-20)33-2)31(16-24-27-9-10-28-24)25-4-3-22-23(30-25)11-18(15-29-22)17-5-7-26-8-6-17/h3-15H,16H2,1-2H3,(H,27,28)
PDB

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n/an/a 3.63n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339824
PNG
(US9757364, Compound 27)
Show SMILES COc1cc(OC)c(F)c(c1)N(Cc1ncccn1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H22FN7O2/c1-32-14-17(13-30-32)16-9-20-19(29-12-16)5-6-24(31-20)33(15-23-27-7-4-8-28-23)21-10-18(34-2)11-22(35-3)25(21)26/h4-14H,15H2,1-3H3
PDB

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n/an/a 3.89n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339873
PNG
(US9757364, Compound 59)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(cc2n1)-c1cccnc1
Show InChI InChI=1S/C25H22N6O2/c1-32-20-11-19(12-21(13-20)33-2)31(16-24-27-8-9-28-24)25-6-5-22-23(30-25)10-18(15-29-22)17-4-3-7-26-14-17/h3-15H,16H2,1-2H3,(H,27,28)
PDB

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n/an/a 3.98n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339840
PNG
(US9757364, Compound 37 | US9757364, Compound 41)
Show SMILES COc1cc(OC)cc(c1)N(CC1CCC(=O)N1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N6O3/c1-30-14-17(13-27-30)16-8-23-22(26-12-16)5-6-24(29-23)31(15-18-4-7-25(32)28-18)19-9-20(33-2)11-21(10-19)34-3/h5-6,8-14,18H,4,7,15H2,1-3H3,(H,28,32)
PDB

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n/an/a 4.37n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339829
PNG
(US9757364, Compound 29)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCNC(C)C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H29FN6O2/c1-16(2)27-8-9-32(22-11-19(33-4)12-23(34-5)25(22)26)24-7-6-20-21(30-24)10-17(13-28-20)18-14-29-31(3)15-18/h6-7,10-16,27H,8-9H2,1-5H3
PDB

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n/an/a 4.57n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339840
PNG
(US9757364, Compound 37 | US9757364, Compound 41)
Show SMILES COc1cc(OC)cc(c1)N(CC1CCC(=O)N1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N6O3/c1-30-14-17(13-27-30)16-8-23-22(26-12-16)5-6-24(29-23)31(15-18-4-7-25(32)28-18)19-9-20(33-2)11-21(10-19)34-3/h5-6,8-14,18H,4,7,15H2,1-3H3,(H,28,32)
PDB

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n/an/a 4.90n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339801
PNG
(US9757364, Compound 4)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-11-21(32-4)13-22(12-20)33-5)25-7-6-23-24(29-25)10-18(14-27-23)19-15-28-30(3)16-19/h6-7,10-17,26H,8-9H2,1-5H3
PDB

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n/an/a 5.01n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339818
PNG
(US9757364, Compound 12)
Show SMILES COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(cc2n1)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C27H34N6O2/c1-18(2)28-9-10-32(22-12-23(34-5)14-24(13-22)35-6)27-8-7-25-26(31-27)11-20(15-29-25)21-16-30-33(17-21)19(3)4/h7-8,11-19,28H,9-10H2,1-6H3
PDB

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n/an/a 5.01n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339828
PNG
(US9757364, Compound 30)
Show SMILES CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1cc(OC)cc(OC)c1F
Show InChI InChI=1S/C23H25FN6O2/c1-25-7-8-30(20-10-17(31-3)11-21(32-4)23(20)24)22-6-5-18-19(28-22)9-15(12-26-18)16-13-27-29(2)14-16/h5-6,9-14,25H,7-8H2,1-4H3
PDB

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n/an/a 5.01n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339839
PNG
(US9757364, Compound 38)
Show SMILES COc1cc(OC)cc(c1)N(Cc1cn(cn1)S(=O)(=O)N(C)C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C26H28N8O4S/c1-31(2)39(35,36)33-15-20(28-17-33)16-34(21-9-22(37-4)11-23(10-21)38-5)26-7-6-24-25(30-26)8-18(12-27-24)19-13-29-32(3)14-19/h6-15,17H,16H2,1-5H3
PDB

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n/an/a 5.75n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339853
PNG
(US9757364, Compound 51)
Show SMILES COc1cc(OC)c(F)c(c1)N(CC1CCCO1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H26FN5O3/c1-30-14-17(13-28-30)16-9-21-20(27-12-16)6-7-24(29-21)31(15-18-5-4-8-34-18)22-10-19(32-2)11-23(33-3)25(22)26/h6-7,9-14,18H,4-5,8,15H2,1-3H3
PDB

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n/an/a 5.75n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339865
PNG
(US9757364, Compound 56)
Show SMILES COc1cc(OC)c(F)c(c1)N(Cc1ccn(n1)S(=O)(=O)N(C)C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C26H27FN8O4S/c1-32(2)40(36,37)35-9-8-19(31-35)16-34(23-11-20(38-4)12-24(39-5)26(23)27)25-7-6-21-22(30-25)10-17(13-28-21)18-14-29-33(3)15-18/h6-15H,16H2,1-5H3
PDB

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n/an/a 6.17n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339866
PNG
(US9757364, Compound 58)
Show SMILES COc1cc(OC)c(F)c(c1)N(Cc1ncco1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H21FN6O3/c1-30-13-16(12-28-30)15-8-19-18(27-11-15)4-5-22(29-19)31(14-23-26-6-7-34-23)20-9-17(32-2)10-21(33-3)24(20)25/h4-13H,14H2,1-3H3
PDB

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n/an/a 6.31n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339819
PNG
(US9757364, Compound 13)
Show SMILES CCn1cc(cn1)-c1cnc2ccc(nc2c1)N(CCNC(C)C)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H32N6O2/c1-6-31-17-20(16-29-31)19-11-25-24(28-15-19)7-8-26(30-25)32(10-9-27-18(2)3)21-12-22(33-4)14-23(13-21)34-5/h7-8,11-18,27H,6,9-10H2,1-5H3
PDB

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n/an/a 6.31n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339799
PNG
(US9757364, Compound 3)
Show SMILES COCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H25N5O3/c1-27-15-17(14-25-27)16-9-22-21(24-13-16)5-6-23(26-22)28(7-8-29-2)18-10-19(30-3)12-20(11-18)31-4/h5-6,9-15H,7-8H2,1-4H3
PDB

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n/an/a 6.31n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339830
PNG
(US9757364, Compound 28)
Show SMILES COc1cc(OC)c(F)c(c1)\N=c1/ccc2ncc(cc2n1CCNC(C)C)-c1cnn(C)c1
Show InChI InChI=1S/C25H29FN6O2/c1-16(2)27-8-9-32-22-10-17(18-14-29-31(3)15-18)13-28-20(22)6-7-24(32)30-21-11-19(33-4)12-23(34-5)25(21)26/h6-7,10-16,27H,8-9H2,1-5H3/b30-24+
PDB

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n/an/a 6.61n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339798
PNG
(US9757364, Compound 1)
Show SMILES COc1cc(OC)cc(c1)N(CCO)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H23N5O3/c1-26-14-16(13-24-26)15-8-21-20(23-12-15)4-5-22(25-21)27(6-7-28)17-9-18(29-2)11-19(10-17)30-3/h4-5,8-14,28H,6-7H2,1-3H3
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US Patent
n/an/a 7.94n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339800
PNG
(US9757364, Compound 6)
Show SMILES COc1cc(OC)cc(c1)N(CCN(CCNC(C)C)C(C)C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C30H41N7O2/c1-21(2)31-10-11-36(22(3)4)12-13-37(25-15-26(38-6)17-27(16-25)39-7)30-9-8-28-29(34-30)14-23(18-32-28)24-19-33-35(5)20-24/h8-9,14-22,31H,10-13H2,1-7H3
PDB

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n/an/a 7.94n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339857
PNG
(US9757364, Compound 72)
Show SMILES COc1cc(OC)c(F)c(N(Cc2ncc[nH]2)c2cc3cc(cnc3cn2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C24H21F2N7O2/c1-32-12-16(10-31-32)15-6-14-7-21(30-11-17(14)29-9-15)33(13-20-27-4-5-28-20)24-22(25)18(34-2)8-19(35-3)23(24)26/h4-12H,13H2,1-3H3,(H,27,28)
PDB

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n/an/a 8.13n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339836
PNG
(US9757364, Compound 34)
Show SMILES COc1cc(OC)c(Cl)c(N(Cc2ncc[nH]2)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1Cl
Show InChI InChI=1S/C24H21Cl2N7O2/c1-32-12-15(11-30-32)14-8-17-16(29-10-14)4-5-21(31-17)33(13-20-27-6-7-28-20)24-22(25)18(34-2)9-19(35-3)23(24)26/h4-12H,13H2,1-3H3,(H,27,28)
PDB

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n/an/a 8.32n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339852
PNG
(US9757364, Compound 50)
Show SMILES COc1cc(OC)cc(c1)N(CC1CCCO1)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C25H27N5O3/c1-29-15-18(14-27-29)17-9-24-23(26-13-17)6-7-25(28-24)30(16-20-5-4-8-33-20)19-10-21(31-2)12-22(11-19)32-3/h6-7,9-15,20H,4-5,8,16H2,1-3H3
PDB

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US Patent
n/an/a 8.71n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339805
PNG
(US9757364, Compound 7)
Show SMILES COc1cc(OC)cc(c1)N(Cc1nccn1S(=O)(=O)N(C)C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C26H28N8O4S/c1-31(2)39(35,36)34-9-8-27-26(34)17-33(20-11-21(37-4)13-22(12-20)38-5)25-7-6-23-24(30-25)10-18(14-28-23)19-15-29-32(3)16-19/h6-16H,17H2,1-5H3
PDB

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n/an/a 10n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339806
PNG
(US9757364, Compound 8)
Show SMILES COc1cc(OC)cc(c1)N(CC#C)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C23H21N5O2/c1-5-8-28(18-10-19(29-3)12-20(11-18)30-4)23-7-6-21-22(26-23)9-16(13-24-21)17-14-25-27(2)15-17/h1,6-7,9-15H,8H2,2-4H3
PDB

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n/an/a 10n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339809
PNG
(US9757364, Compound 14)
Show SMILES COc1cc(OC)c(F)c(N(Cc2ncccn2)c2ccc3ncc(cc3n2)-c2cnn(C)c2)c1F
Show InChI InChI=1S/C25H21F2N7O2/c1-33-13-16(12-31-33)15-9-18-17(30-11-15)5-6-22(32-18)34(14-21-28-7-4-8-29-21)25-23(26)19(35-2)10-20(36-3)24(25)27/h4-13H,14H2,1-3H3
PDB

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n/an/a 11n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339817
PNG
(US9757364, Compound 21)
Show SMILES CC(C)NCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1c(F)cccc1F
Show InChI InChI=1S/C23H24F2N6/c1-15(2)26-9-10-31(23-18(24)5-4-6-19(23)25)22-8-7-20-21(29-22)11-16(12-27-20)17-13-28-30(3)14-17/h4-8,11-15,26H,9-10H2,1-3H3
PDB

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n/an/a 11.2n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339870
PNG
(US9757364, Compound 61)
Show SMILES COc1cc(OC)cc(c1)N(CCO)c1ccc2ncc(cc2n1)-c1ccncc1
Show InChI InChI=1S/C23H22N4O3/c1-29-19-12-18(13-20(14-19)30-2)27(9-10-28)23-4-3-21-22(26-23)11-17(15-25-21)16-5-7-24-8-6-16/h3-8,11-15,28H,9-10H2,1-2H3
PDB

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n/an/a 11.7n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)

More data for this
Ligand-Target Pair
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