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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2821   
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 1


(Homo sapiens (Human))
BDBM381830
PNG
(US10272087, Compound 13 | US10272087, Compound 2)
Show SMILES COc1cc(OC)c(F)c(c1)N(Cc1ncc[nH]1)c1ncc2ncc(nc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H20FN9O2/c1-31-11-13(8-28-31)15-9-26-16-10-27-22(30-21(16)29-15)32(12-19-24-4-5-25-19)17-6-14(33-2)7-18(34-3)20(17)23/h4-11H,12H2,1-3H3,(H,24,25)
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n/an/a 3.16n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381830
PNG
(US10272087, Compound 13 | US10272087, Compound 2)
Show SMILES COc1cc(OC)c(F)c(c1)N(Cc1ncc[nH]1)c1ncc2ncc(nc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C22H20FN9O2/c1-31-11-13(8-28-31)15-9-26-16-10-27-22(30-21(16)29-15)32(12-19-24-4-5-25-19)17-6-14(33-2)7-18(34-3)20(17)23/h4-11H,12H2,1-3H3,(H,24,25)
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n/an/a 3.98n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381829
PNG
(US10272087, Compound 1 | US10272087, Compound 11)
Show SMILES COc1cc(OC)c(F)c(c1)N(C[C@@H]1CCC(=O)N1)c1ncc2ncc(nc2n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H23FN8O3/c1-31-11-13(8-27-31)16-9-25-17-10-26-23(30-22(17)29-16)32(12-14-4-5-20(33)28-14)18-6-15(34-2)7-19(35-3)21(18)24/h6-11,14H,4-5,12H2,1-3H3,(H,28,33)/t14-/m0/s1
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n/an/a 7.94n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381834
PNG
(US10272087, Compound 8)
Show SMILES COc1cc(OC)c(F)c(N(C[C@@H]2CCC(=O)N2)c2ncc3ncc(nc3n2)-c2cnn(C)c2)c1F |r|
Show InChI InChI=1S/C23H22F2N8O3/c1-32-10-12(7-28-32)14-8-26-15-9-27-23(31-22(15)30-14)33(11-13-4-5-18(34)29-13)21-19(24)16(35-2)6-17(36-3)20(21)25/h6-10,13H,4-5,11H2,1-3H3,(H,29,34)/t13-/m0/s1
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n/an/a 25.1n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381835
PNG
(US10272087, Compound 9)
Show SMILES CNCCN(c1ncc2ncc(nc2n1)-c1cnn(C)c1)c1c(F)c(OC)cc(OC)c1F
Show InChI InChI=1S/C21H22F2N8O2/c1-24-5-6-31(19-17(22)15(32-3)7-16(33-4)18(19)23)21-26-10-14-20(29-21)28-13(9-25-14)12-8-27-30(2)11-12/h7-11,24H,5-6H2,1-4H3
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n/an/a 31.6n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381833
PNG
(US10272087, Compound 7)
Show SMILES COc1cc(OC)cc(c1)N(CC1CC1)c1ncc2ncc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-30-19-10-18(11-20(12-19)31-2)29(15-16-8-9-16)24-26-14-22-23(28-24)27-21(13-25-22)17-6-4-3-5-7-17/h3-7,10-14,16H,8-9,15H2,1-2H3
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n/an/a 50.1n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381831
PNG
(US10272087, Compound 3)
Show SMILES COc1cc(OC)cc(c1)N(CCO)c1ncc2ncc(nc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C20H21N7O3/c1-26-12-13(9-23-26)17-10-21-18-11-22-20(25-19(18)24-17)27(4-5-28)14-6-15(29-2)8-16(7-14)30-3/h6-12,28H,4-5H2,1-3H3
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n/an/a 79.4n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381832
PNG
(US10272087, Compound 4)
Show SMILES COc1cc(OC)cc(c1)N(CCO)c1ncc2ncc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C22H21N5O3/c1-29-17-10-16(11-18(12-17)30-2)27(8-9-28)22-24-14-20-21(26-22)25-19(13-23-20)15-6-4-3-5-7-15/h3-7,10-14,28H,8-9H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381836
PNG
(US10272087, Compound 10)
Show SMILES COc1cc(OC)c(F)c(c1)N(C[C@H]1CCC(=O)N1)c1ncc2ncc(nc2n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H23FN8O3/c1-31-11-13(8-27-31)16-9-25-17-10-26-23(30-22(17)29-16)32(12-14-4-5-20(33)28-14)18-6-15(34-2)7-19(35-3)21(18)24/h6-11,14H,4-5,12H2,1-3H3,(H,28,33)/t14-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM381829
PNG
(US10272087, Compound 1 | US10272087, Compound 11)
Show SMILES COc1cc(OC)c(F)c(c1)N(C[C@@H]1CCC(=O)N1)c1ncc2ncc(nc2n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C23H23FN8O3/c1-31-11-13(8-27-31)16-9-25-17-10-26-23(30-22(17)29-16)32(12-14-4-5-20(33)28-14)18-6-15(34-2)7-19(35-3)21(18)24/h6-11,14H,4-5,12H2,1-3H3,(H,28,33)/t14-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Dundee



Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


Biochem J 401: 29-38 (2007)


BindingDB Entry DOI: 10.7270/Q2XD1405
More data for this
Ligand-Target Pair