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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'rudge' and Initial = 'da'   
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246406
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F
Show InChI InChI=1S/C24H29F2N7O/c1-14(2)33-15(3)27-13-21(33)22-20(26)12-28-24(31-22)30-17-5-6-18(19(25)11-17)23(34)29-16-7-9-32(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,34)(H,28,30,31)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420961
PNG
(CHEMBL2088096)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C22H25N7O3/c1-14-8-19(32-29-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-17(30-2)12-18(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246408
PNG
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)
Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r|
Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420953
PNG
(CHEMBL2088260)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)on4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C22H25N7O3/c1-14-8-17(29-32-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-18(30-2)12-19(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50246408
PNG
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)
Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r|
Show InChI InChI=1S/C23H28FN7O/c1-14(2)31-15(3)26-12-20(31)21-19(24)11-27-23(29-21)28-17-7-5-16(6-8-17)22(32)30-10-9-18(13-30)25-4/h5-8,11-12,14,18,25H,9-10,13H2,1-4H3,(H,27,28,29)/t18-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245864
PNG
(CHEMBL462385 | N-(2-(dimethylamino)ethyl)-2-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)ncc1F
Show InChI InChI=1S/C22H27F2N7O/c1-13(2)31-14(3)26-12-19(31)20-18(24)11-27-22(29-20)28-15-6-7-16(17(23)10-15)21(32)25-8-9-30(4)5/h6-7,10-13H,8-9H2,1-5H3,(H,25,32)(H,27,28,29)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245865
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r|
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245910
PNG
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F
Show InChI InChI=1S/C24H30FN7O/c1-16(2)32-17(3)26-15-21(32)22-20(25)14-27-24(29-22)28-19-8-6-18(7-9-19)23(33)31-11-5-10-30(4)12-13-31/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,28,29)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245913
PNG
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)
Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
Show InChI InChI=1S/C23H29N7O/c1-15(2)30-16(3)26-13-21(30)20-9-11-25-23(28-20)27-18-7-5-17(6-8-18)22(31)29-12-10-19(14-29)24-4/h5-9,11,13,15,19,24H,10,12,14H2,1-4H3,(H,25,27,28)/t19-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420959
PNG
(CHEMBL2088095)
Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27)
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n/an/a 2.51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246407
PNG
(CHEMBL453629 | N-(2-(dimethylamino)ethyl)-2-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)n1
Show InChI InChI=1S/C22H28FN7O/c1-14(2)30-15(3)26-13-20(30)19-8-9-25-22(28-19)27-16-6-7-17(18(23)12-16)21(31)24-10-11-29(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,24,31)(H,25,27,28)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245911
PNG
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)
Show SMILES CCCN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
Show InChI InChI=1S/C26H35N7O/c1-6-14-31(5)22-12-15-32(17-22)25(34)20-7-9-21(10-8-20)29-26-27-13-11-23(30-26)24-16-28-19(4)33(24)18(2)3/h7-11,13,16,18,22H,6,12,14-15,17H2,1-5H3,(H,27,29,30)/t22-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245910
PNG
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F
Show InChI InChI=1S/C24H30FN7O/c1-16(2)32-17(3)26-15-21(32)22-20(25)14-27-24(29-22)28-19-8-6-18(7-9-19)23(33)31-11-5-10-30(4)12-13-31/h6-9,14-16H,5,10-13H2,1-4H3,(H,27,28,29)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420968
PNG
(CHEMBL2088259)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4ccccn4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C23H25N7O2/c1-31-19-11-16(12-20(14-19)32-2)6-7-17-13-22(30-29-17)27-21-8-10-25-23(28-21)26-15-18-5-3-4-9-24-18/h3-5,8-14H,6-7,15H2,1-2H3,(H3,25,26,27,28,29,30)
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n/an/a 5.01n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50245866
PNG
(((R)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@H](C2)N(C)C)ncc1F |r|
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m1/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420964
PNG
(CHEMBL2088100)
Show SMILES Cc1cc(CNc2nccc(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H21N7O/c1-14-11-17(28-27-14)13-22-20-21-10-9-18(24-20)23-19-12-16(25-26-19)8-7-15-5-3-2-4-6-15/h2-6,9-12H,7-8,13H2,1H3,(H3,21,22,23,24,25,26)
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n/an/a 7.94n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245913
PNG
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)
Show SMILES CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
Show InChI InChI=1S/C23H29N7O/c1-15(2)30-16(3)26-13-21(30)20-9-11-25-23(28-20)27-18-7-5-17(6-8-18)22(31)29-12-10-19(14-29)24-4/h5-9,11,13,15,19,24H,10,12,14H2,1-4H3,(H,25,27,28)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246357
PNG
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)n1
Show InChI InChI=1S/C23H29N7O/c1-16(2)30-17(3)25-15-21(30)20-9-10-24-23(27-20)26-19-7-5-18(6-8-19)22(31)29-13-11-28(4)12-14-29/h5-10,15-16H,11-14H2,1-4H3,(H,24,26,27)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420958
PNG
(CHEMBL2088094)
Show SMILES CCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1
Show InChI InChI=1S/C15H18BrN7O/c1-3-4-10-6-13(22-21-10)19-14-12(16)8-18-15(20-14)17-7-11-5-9(2)23-24-11/h5-6,8H,3-4,7H2,1-2H3,(H3,17,18,19,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245865
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r|
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246405
PNG
(2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)n1
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)27-14-22(32)21-7-10-26-24(30-21)29-18-5-6-19(20(25)13-18)23(33)28-17-8-11-31(4)12-9-17/h5-7,10,13-15,17H,8-9,11-12H2,1-4H3,(H,28,33)(H,26,29,30)
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245866
PNG
(((R)-3-(dimethylamino)pyrrolidin-1-yl)(4-(5-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@H](C2)N(C)C)ncc1F |r|
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-13-21(32)22-20(25)12-27-24(29-22)28-18-8-6-17(7-9-18)23(33)31-11-10-19(14-31)30(4)5/h6-9,12-13,15,19H,10-11,14H2,1-5H3,(H,27,28,29)/t19-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50246406
PNG
(2-fluoro-4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-im...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F
Show InChI InChI=1S/C24H29F2N7O/c1-14(2)33-15(3)27-13-21(33)22-20(26)12-28-24(31-22)30-17-5-6-18(19(25)11-17)23(34)29-16-7-9-32(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,34)(H,28,30,31)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246358
PNG
((4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C23H28FN7O/c1-15(2)31-16(3)25-14-20(31)21-19(24)13-26-23(28-21)27-18-7-5-17(6-8-18)22(32)30-11-9-29(4)10-12-30/h5-8,13-15H,9-12H2,1-4H3,(H,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50420959
PNG
(CHEMBL2088095)
Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27)
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n/an/a 25.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420950
PNG
(CHEMBL2088113)
Show SMILES CCCc1cc(Nc2nc(NCc3cccnc3)ncc2Br)[nH]n1
Show InChI InChI=1S/C16H18BrN7/c1-2-4-12-7-14(24-23-12)21-15-13(17)10-20-16(22-15)19-9-11-5-3-6-18-8-11/h3,5-8,10H,2,4,9H2,1H3,(H3,19,20,21,22,23,24)
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n/an/a 25.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420946
PNG
(CHEMBL2088108)
Show SMILES Cc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1
Show InChI InChI=1S/C15H17N7O/c1-9-6-14(21-20-9)18-13-4-5-16-15(19-13)17-8-11-7-12(22-23-11)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H3,16,17,18,19,20,21)
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n/an/a 25.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420951
PNG
(CHEMBL2088257)
Show SMILES COCCCc1cc(Nc2ccnc(NCc3cc(no3)C3CC3)n2)[nH]n1
Show InChI InChI=1S/C18H23N7O2/c1-26-8-2-3-13-9-17(24-23-13)21-16-6-7-19-18(22-16)20-11-14-10-15(25-27-14)12-4-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3,(H3,19,20,21,22,23,24)
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n/an/a 25.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50246407
PNG
(CHEMBL453629 | N-(2-(dimethylamino)ethyl)-2-fluoro...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)n1
Show InChI InChI=1S/C22H28FN7O/c1-14(2)30-15(3)26-13-20(30)19-8-9-25-22(28-19)27-16-6-7-17(18(23)12-16)21(31)24-10-11-29(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,24,31)(H,25,27,28)
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420963
PNG
(CHEMBL2088097)
Show SMILES Cc1cc(Nc2nc(NCc3cc(C)no3)ncc2Cl)[nH]n1
Show InChI InChI=1S/C13H14ClN7O/c1-7-4-11(20-19-7)17-12-10(14)6-16-13(18-12)15-5-9-3-8(2)21-22-9/h3-4,6H,5H2,1-2H3,(H3,15,16,17,18,19,20)
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n/an/a 31.6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420960
PNG
(CHEMBL2088092)
Show SMILES Cc1cc(Nc2nc(NCc3cc(no3)C(C)(C)C)ncc2Br)[nH]n1
Show InChI InChI=1S/C16H20BrN7O/c1-9-5-13(23-22-9)20-14-11(17)8-19-15(21-14)18-7-10-6-12(24-25-10)16(2,3)4/h5-6,8H,7H2,1-4H3,(H3,18,19,20,21,22,23)
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n/an/a 31.6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246404
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-14-21(32)22-20(25)13-27-24(30-22)29-18-7-5-17(6-8-18)23(33)28-19-9-11-31(4)12-10-19/h5-8,13-15,19H,9-12H2,1-4H3,(H,28,33)(H,27,29,30)
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246359
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)n1
Show InChI InChI=1S/C24H31N7O/c1-16(2)31-17(3)26-15-22(31)21-9-12-25-24(29-21)28-19-7-5-18(6-8-19)23(32)27-20-10-13-30(4)14-11-20/h5-9,12,15-16,20H,10-11,13-14H2,1-4H3,(H,27,32)(H,25,28,29)
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n/an/a 37n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420948
PNG
(CHEMBL2088111)
Show SMILES CCc1cc(Nc2nc(NCc3ccccn3)ncc2Br)[nH]n1
Show InChI InChI=1S/C15H16BrN7/c1-2-10-7-13(23-22-10)20-14-12(16)9-19-15(21-14)18-8-11-5-3-4-6-17-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21,22,23)
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n/an/a 39.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50246404
PNG
(4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-...)
Show SMILES CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C24H30FN7O/c1-15(2)32-16(3)26-14-21(32)22-20(25)13-27-24(30-22)29-18-7-5-17(6-8-18)23(33)28-19-9-11-31(4)12-10-19/h5-8,13-15,19H,9-12H2,1-4H3,(H,28,33)(H,27,29,30)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 62n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420957
PNG
(CHEMBL2088093)
Show SMILES COCCCc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1
Show InChI InChI=1S/C16H20BrN7O2/c1-10-6-12(26-24-10)8-18-16-19-9-13(17)15(21-16)20-14-7-11(22-23-14)4-3-5-25-2/h6-7,9H,3-5,8H2,1-2H3,(H3,18,19,20,21,22,23)
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420959
PNG
(CHEMBL2088095)
Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27)
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 phosphorylation expressed in COS1 cells after 1 hr by immunoblotting


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420967
PNG
(CHEMBL2088256)
Show SMILES CC(C)c1cc(Nc2nc(NCc3cccnc3)ncc2Br)[nH]n1
Show InChI InChI=1S/C16H18BrN7/c1-10(2)13-6-14(24-23-13)21-15-12(17)9-20-16(22-15)19-8-11-4-3-5-18-7-11/h3-7,9-10H,8H2,1-2H3,(H3,19,20,21,22,23,24)
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420956
PNG
(CHEMBL2088091)
Show SMILES Cc1cc(Nc2nc(NCc3cc(C)no3)ncc2Br)[nH]n1
Show InChI InChI=1S/C13H14BrN7O/c1-7-4-11(20-19-7)17-12-10(14)6-16-13(18-12)15-5-9-3-8(2)21-22-9/h3-4,6H,5H2,1-2H3,(H3,15,16,17,18,19,20)
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420952
PNG
(CHEMBL2088258)
Show SMILES COCCCc1cc(Nc2ccnc(NCc3cc(no3)C(N)=O)n2)[nH]n1
Show InChI InChI=1S/C16H20N8O3/c1-26-6-2-3-10-7-14(23-22-10)20-13-4-5-18-16(21-13)19-9-11-8-12(15(17)25)24-27-11/h4-5,7-8H,2-3,6,9H2,1H3,(H2,17,25)(H3,18,19,20,21,22,23)
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50246357
PNG
((4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrim...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)n1
Show InChI InChI=1S/C23H29N7O/c1-16(2)30-17(3)25-15-21(30)20-9-10-24-23(27-20)26-19-7-5-18(6-8-19)22(31)29-13-11-28(4)12-14-29/h5-10,15-16H,11-14H2,1-4H3,(H,24,26,27)
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n/an/a 71n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420939
PNG
(CHEMBL2088099)
Show SMILES COCCCc1cc(Nc2ccnc(NCc3cc(C)no3)n2)[nH]n1
Show InChI InChI=1S/C16H21N7O2/c1-11-8-13(25-23-11)10-18-16-17-6-5-14(20-16)19-15-9-12(21-22-15)4-3-7-24-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H3,17,18,19,20,21,22)
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50420961
PNG
(CHEMBL2088096)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C22H25N7O3/c1-14-8-19(32-29-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-17(30-2)12-18(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human KDR (805 to 1356) expressed in baculovirus infected Sf9 cells after 90 mins by caliper mobility...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420962
PNG
(CHEMBL2088098)
Show SMILES Cc1cc(Nc2ccnc(NCc3cc(C)no3)n2)[nH]n1
Show InChI InChI=1S/C13H15N7O/c1-8-6-12(19-18-8)16-11-3-4-14-13(17-11)15-7-10-5-9(2)20-21-10/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18,19)
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420944
PNG
(CHEMBL2088106)
Show SMILES Cc1cc(Nc2nc(NCc3ncccc3C)ncc2Br)[nH]n1
Show InChI InChI=1S/C15H16BrN7/c1-9-4-3-5-17-12(9)8-19-15-18-7-11(16)14(21-15)20-13-6-10(2)22-23-13/h3-7H,8H2,1-2H3,(H3,18,19,20,21,22,23)
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420949
PNG
(CHEMBL2088112)
Show SMILES CCc1cc(Nc2nc(NCc3cc(no3)-c3ccccn3)ncc2Br)[nH]n1
Show InChI InChI=1S/C18H17BrN8O/c1-2-11-7-16(26-25-11)23-17-13(19)10-22-18(24-17)21-9-12-8-15(27-28-12)14-5-3-4-6-20-14/h3-8,10H,2,9H2,1H3,(H3,21,22,23,24,25,26)
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420943
PNG
(CHEMBL2088104)
Show SMILES Cc1cc(Nc2nc(NCc3cnc(C)cn3)ncc2Br)[nH]n1
Show InChI InChI=1S/C14H15BrN8/c1-8-3-12(23-22-8)20-13-11(15)7-19-14(21-13)18-6-10-5-16-9(2)4-17-10/h3-5,7H,6H2,1-2H3,(H3,18,19,20,21,22,23)
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245912
PNG
(((S)-3-(cyclopropylamino)pyrrolidin-1-yl)(4-(4-(1-...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)NC2CC2)n1 |r|
Show InChI InChI=1S/C25H31N7O/c1-16(2)32-17(3)27-14-23(32)22-10-12-26-25(30-22)29-20-6-4-18(5-7-20)24(33)31-13-11-21(15-31)28-19-8-9-19/h4-7,10,12,14,16,19,21,28H,8-9,11,13,15H2,1-3H3,(H,26,29,30)/t21-/m0/s1
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 6369-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.102
BindingDB Entry DOI: 10.7270/Q2XW4JNM
More data for this
Ligand-Target Pair
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