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PubMed code 21289073

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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))
BDBM50088495
PNG
(CHEMBL3527569)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OS(O)(=O)=O |r|
Show InChI InChI=1S/C19H19FN4O6S/c1-10-6-13-14(23-10)4-5-15(17(13)20)29-19-18-12(3)16(7-24(18)22-9-21-19)28-8-11(2)30-31(25,26)27/h4-7,9,11,23H,8H2,1-3H3,(H,25,26,27)/t11-/m1/s1
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR-1


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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PubMed
n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088495
PNG
(CHEMBL3527569)
Show SMILES C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OS(O)(=O)=O |r|
Show InChI InChI=1S/C19H19FN4O6S/c1-10-6-13-14(23-10)4-5-15(17(13)20)29-19-18-12(3)16(7-24(18)22-9-21-19)28-8-11(2)30-31(25,26)27/h4-7,9,11,23H,8H2,1-3H3,(H,25,26,27)/t11-/m1/s1
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR-1


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088496
PNG
(CHEMBL3526621)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(CO)cc4c3F)c2c1C |r|
Show InChI InChI=1S/C19H19FN4O4/c1-10(26)8-27-16-6-24-18(11(16)2)19(21-9-22-24)28-15-4-3-14-13(17(15)20)5-12(7-25)23-14/h3-6,9-10,23,25-26H,7-8H2,1-2H3/t10-/m1/s1
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Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50088496
PNG
(CHEMBL3526621)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(CO)cc4c3F)c2c1C |r|
Show InChI InChI=1S/C19H19FN4O4/c1-10(26)8-27-16-6-24-18(11(16)2)19(21-9-22-24)28-15-4-3-14-13(17(15)20)5-12(7-25)23-14/h3-6,9-10,23,25-26H,7-8H2,1-2H3/t10-/m1/s1
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Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR-1


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088497
PNG
(CHEMBL3526543)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(cc4c3F)C(O)=O)c2c1C |r|
Show InChI InChI=1S/C19H17FN4O5/c1-9(25)7-28-15-6-24-17(10(15)2)18(21-8-22-24)29-14-4-3-12-11(16(14)20)5-13(23-12)19(26)27/h3-6,8-9,23,25H,7H2,1-2H3,(H,26,27)/t9-/m1/s1
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50088497
PNG
(CHEMBL3526543)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(cc4c3F)C(O)=O)c2c1C |r|
Show InChI InChI=1S/C19H17FN4O5/c1-9(25)7-28-15-6-24-17(10(15)2)18(21-8-22-24)29-14-4-3-12-11(16(14)20)5-13(23-12)19(26)27/h3-6,8-9,23,25H,7H2,1-2H3,(H,26,27)/t9-/m1/s1
PDB
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR-1


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%