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Compile Data Set for Download or QSAR

Found 661 hits with Last Name = 'congreve' and Initial = 'ms'   
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
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM312053
PNG
(5-{1'-[(2R)-3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nnc([nH]2)C(O)=O)cc2cn[nH]c12 |r|
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0.0500n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM311886
PNG
(N-[(2R)-1-[4-(1H-imidazol-2-yl)-1,4'-bipiperidin-1...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2ncc[nH]2)cc2cn[nH]c12 |r|
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0.0500n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM312050
PNG
(US10166226, Example 6 | ethyl 5-{1'-[(2R)-3-(7-met...)
Show SMILES CCOC(=O)c1nnc([nH]1)C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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0.0630n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM311913
PNG
(N-[(2R)-1-[4-(4-methyl-1H-imidazol-5-yl)-1,4'-bipi...)
Show SMILES Cc1nc[nH]c1C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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0.0790n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM312052
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(5-methy...)
Show SMILES Cc1nnc([nH]1)C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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0.100n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM312002
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(4-methy...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nncn2C)cc2cn[nH]c12 |r|
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0.100n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM312049
PNG
(4-(7-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)-N-{(2R...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccc(F)cc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nncn2C)cc2cn[nH]c12 |r|
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0.126n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM312051
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-(4...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2nnc[nH]2)cc2cn[nH]c12 |r|
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0.158n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM311965
PNG
(N-{(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-[4-(1...)
Show SMILES CCCn1ccnc1C1CCN(CC1)C1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r|
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0.158n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10166226 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZBC
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50346332
PNG
(2-Oxo-5-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]dia...)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1
Show InChI InChI=1S/C26H21F6N3O2/c1-34(14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(37)35-15-22(36)33-21-10-6-5-9-20(21)23(35)17-7-3-2-4-8-17/h2-13,23H,14-15H2,1H3,(H,33,36)
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50214736
PNG
(CHEMBL304638)
Show SMILES CC1N(CC(=O)Nc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50214732
PNG
(CHEMBL64839)
Show SMILES CC1N(CCNc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50214733
PNG
(CHEMBL62597)
Show SMILES COC(=O)C1N(CC(=O)Nc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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316n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50214734
PNG
(CHEMBL302163)
Show SMILES FC(F)(F)c1cc(CNC(=O)N2CC(=O)Nc3ccccc3C2c2ccccc2)cc(c1)C(F)(F)F
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631n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50214641
PNG
(CHEMBL291650)
Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc2C1CN1CCOCC1
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794n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50214640
PNG
(CHEMBL64862)
Show SMILES CN(Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50214735
PNG
(CHEMBL64698)
Show SMILES CC1N(CC(=O)N(C)c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 2037-2042 (1997)


Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128502
PNG
(US8796244, 81)
Show SMILES CC(C)(CO)Nc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C24H24F3N7O2/c1-23(2,14-35)31-20-7-6-18(32-33-20)15-8-9-34-19(12-28-21(34)11-15)16-4-3-5-17(10-16)30-22(36)29-13-24(25,26)27/h3-12,35H,13-14H2,1-2H3,(H,31,33)(H2,29,30,36)
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n/an/a 0.447n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128624
PNG
(US8796244, 213)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nccc(n1)-n1ccnc1
Show InChI InChI=1S/C23H17F3N8O/c24-23(25,26)13-30-22(35)31-17-3-1-2-15(10-17)18-12-29-20-11-16(5-8-34(18)20)21-28-6-4-19(32-21)33-9-7-27-14-33/h1-12,14H,13H2,(H2,30,31,35)
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n/an/a 0.460n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128551
PNG
(US8796244, 133)
Show SMILES OC1CCCN(C1)c1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C25H24F3N7O2/c26-25(27,28)15-30-24(37)31-18-4-1-3-17(11-18)21-13-29-23-12-16(8-10-35(21)23)20-6-7-22(33-32-20)34-9-2-5-19(36)14-34/h1,3-4,6-8,10-13,19,36H,2,5,9,14-15H2,(H2,30,31,37)
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n/an/a 0.484n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139913
PNG
(US8895745, 375)
Show SMILES Cn1cnc(c1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N6O/c1-28-10-16(26-12-28)13-5-6-29-17(9-24-18(29)8-13)14-3-2-4-15(7-14)27-19(30)25-11-20(21,22)23/h2-10,12H,11H2,1H3,(H2,25,27,30)
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n/an/a 0.490n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128659
PNG
(US8796244, 250)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nnc(NC2CC2)s1
Show InChI InChI=1S/C21H18F3N7OS/c22-21(23,24)11-26-19(32)27-15-3-1-2-12(8-15)16-10-25-17-9-13(6-7-31(16)17)18-29-30-20(33-18)28-14-4-5-14/h1-3,6-10,14H,4-5,11H2,(H,28,30)(H2,26,27,32)
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n/an/a 0.5n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128516
PNG
(US8796244, 95)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1ccc(nn1)N1CCNC(=O)C1
Show InChI InChI=1S/C24H21F3N8O2/c25-24(26,27)14-30-23(37)31-17-3-1-2-16(10-17)19-12-29-21-11-15(6-8-35(19)21)18-4-5-20(33-32-18)34-9-7-28-22(36)13-34/h1-6,8,10-12H,7,9,13-14H2,(H,28,36)(H2,30,31,37)
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n/an/a 0.530n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128496
PNG
(US8796244, 75)
Show SMILES NC1CCN(CC1)c1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C25H25F3N8O/c26-25(27,28)15-31-24(37)32-19-3-1-2-17(12-19)21-14-30-23-13-16(6-11-36(21)23)20-4-5-22(34-33-20)35-9-7-18(29)8-10-35/h1-6,11-14,18H,7-10,15,29H2,(H2,31,32,37)
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n/an/a 0.535n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128668
PNG
(US8796244, 261)
Show SMILES Nc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C18H14F3N7OS/c19-18(20,21)9-24-17(29)25-12-3-1-2-10(6-12)13-8-23-14-7-11(4-5-28(13)14)15-26-27-16(22)30-15/h1-8H,9H2,(H2,22,27)(H2,24,25,29)
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n/an/a 0.540n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128468
PNG
(US8796244, 47)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCOC1
Show InChI InChI=1S/C23H21F3N6O2/c24-23(25,26)14-28-22(33)30-18-3-1-2-16(8-18)20-11-27-21-9-15(4-6-31(20)21)17-10-29-32(12-17)19-5-7-34-13-19/h1-4,6,8-12,19H,5,7,13-14H2,(H2,28,30,33)
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n/an/a 0.542n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128427
PNG
(US8796244, 6)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C25H26F3N7O/c1-33-8-6-21(7-9-33)35-15-19(13-31-35)17-5-10-34-22(14-29-23(34)12-17)18-3-2-4-20(11-18)32-24(36)30-16-25(26,27)28/h2-5,10-15,21H,6-9,16H2,1H3,(H2,30,32,36)
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n/an/a 0.545n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128428
PNG
(US8796244, 7)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1ccc(nn1)N1CCCCC1
Show InChI InChI=1S/C25H24F3N7O/c26-25(27,28)16-30-24(36)31-19-6-4-5-18(13-19)21-15-29-23-14-17(9-12-35(21)23)20-7-8-22(33-32-20)34-10-2-1-3-11-34/h4-9,12-15H,1-3,10-11,16H2,(H2,30,31,36)
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n/an/a 0.550n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128561
PNG
(US8796244, 145)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C27H26F3N7O2/c1-18(38)35-9-11-36(12-10-35)24-6-5-21(15-31-24)19-7-8-37-23(16-32-25(37)14-19)20-3-2-4-22(13-20)34-26(39)33-17-27(28,29)30/h2-8,13-16H,9-12,17H2,1H3,(H2,33,34,39)
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n/an/a 0.560n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128488
PNG
(US8796244, 67)
Show SMILES OCCNc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N7O2/c23-22(24,25)13-28-21(34)29-16-3-1-2-15(10-16)18-12-27-20-11-14(6-8-32(18)20)17-4-5-19(31-30-17)26-7-9-33/h1-6,8,10-12,33H,7,9,13H2,(H,26,31)(H2,28,29,34)
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n/an/a 0.569n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128425
PNG
(US8796244, 4)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)15-30-23(35)32-19-3-1-2-17(10-19)21-13-29-22-11-16(6-9-33(21)22)18-12-31-34(14-18)20-4-7-28-8-5-20/h1-3,6,9-14,20,28H,4-5,7-8,15H2,(H2,30,32,35)
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n/an/a 0.570n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128465
PNG
(US8796244, 44)
Show SMILES CCN1CCC(C1)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:7.7|
Show InChI InChI=1S/C25H28F3N7O/c1-2-34-8-7-21(15-34)30-13-19(12-29)17-6-9-35-22(14-31-23(35)11-17)18-4-3-5-20(10-18)33-24(36)32-16-25(26,27)28/h3-6,9-14,19,21,29H,2,7-8,15-16H2,1H3,(H2,32,33,36)
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n/an/a 0.582n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128466
PNG
(US8796244, 45)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCNC1
Show InChI InChI=1S/C23H22F3N7O/c24-23(25,26)14-29-22(34)31-18-3-1-2-16(8-18)20-12-28-21-9-15(5-7-32(20)21)17-10-30-33(13-17)19-4-6-27-11-19/h1-3,5,7-10,12-13,19,27H,4,6,11,14H2,(H2,29,31,34)
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n/an/a 0.603n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128534
PNG
(US8796244, 113)
Show SMILES CN(C)c1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C22H20F3N7O/c1-31(2)19-7-6-17(29-30-19)14-8-9-32-18(12-26-20(32)11-14)15-4-3-5-16(10-15)28-21(33)27-13-22(23,24)25/h3-12H,13H2,1-2H3,(H2,27,28,33)
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n/an/a 0.610n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128459
PNG
(US8796244, 38)
Show SMILES CN1CCCC(C1)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:7.7|
Show InChI InChI=1S/C25H28F3N7O/c1-34-8-3-6-21(15-34)30-13-19(12-29)17-7-9-35-22(14-31-23(35)11-17)18-4-2-5-20(10-18)33-24(36)32-16-25(26,27)28/h2,4-5,7,9-14,19,21,29H,3,6,8,15-16H2,1H3,(H2,32,33,36)
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n/an/a 0.610n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128461
PNG
(US8796244, 40)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CCCNC1
Show InChI InChI=1S/C24H24F3N7O/c25-24(26,27)15-30-23(35)32-19-4-1-3-17(9-19)21-13-29-22-10-16(6-8-33(21)22)18-11-31-34(14-18)20-5-2-7-28-12-20/h1,3-4,6,8-11,13-14,20,28H,2,5,7,12,15H2,(H2,30,32,35)
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n/an/a 0.612n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128453
PNG
(US8796244, 32)
Show SMILES CC(C)N1CC(C1)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:7.7|
Show InChI InChI=1S/C25H28F3N7O/c1-16(2)34-13-21(14-34)30-11-19(10-29)17-6-7-35-22(12-31-23(35)9-17)18-4-3-5-20(8-18)33-24(36)32-15-25(26,27)28/h3-12,16,19,21,29H,13-15H2,1-2H3,(H2,32,33,36)
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n/an/a 0.613n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128436
PNG
(US8796244, 15)
Show SMILES NC(=CCC(=N)N1CCOCC1)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:2.2|
Show InChI InChI=1S/C24H26F3N7O2/c25-24(26,27)15-31-23(35)32-18-3-1-2-17(12-18)20-14-30-22-13-16(6-7-34(20)22)19(28)4-5-21(29)33-8-10-36-11-9-33/h1-4,6-7,12-14,29H,5,8-11,15,28H2,(H2,31,32,35)
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n/an/a 0.640n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128725
PNG
(US8796244, 319)
Show SMILES COCCc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N6O2S/c1-32-8-6-18-28-29-19(33-18)14-5-7-30-16(11-25-17(30)10-14)13-3-2-4-15(9-13)27-20(31)26-12-21(22,23)24/h2-5,7,9-11H,6,8,12H2,1H3,(H2,26,27,31)
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n/an/a 0.643n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128474
PNG
(US8796244, 53)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nc2CCNCc2s1
Show InChI InChI=1S/C22H19F3N6OS/c23-22(24,25)12-28-21(32)29-15-3-1-2-13(8-15)17-10-27-19-9-14(5-7-31(17)19)20-30-16-4-6-26-11-18(16)33-20/h1-3,5,7-10,26H,4,6,11-12H2,(H2,28,29,32)
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n/an/a 0.675n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128443
PNG
(US8796244, 22)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1nnc(CCN2CCCCC2)s1
Show InChI InChI=1S/C25H26F3N7OS/c26-25(27,28)16-30-24(36)31-19-6-4-5-17(13-19)20-15-29-21-14-18(7-12-35(20)21)23-33-32-22(37-23)8-11-34-9-2-1-3-10-34/h4-7,12-15H,1-3,8-11,16H2,(H2,30,31,36)
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n/an/a 0.704n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139918
PNG
(US8895745, 401)
Show SMILES OCCn1cc(cn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H19F3N6O2/c22-21(23,24)13-26-20(32)28-17-3-1-2-15(8-17)18-11-25-19-9-14(4-5-30(18)19)16-10-27-29(12-16)6-7-31/h1-5,8-12,31H,6-7,13H2,(H2,26,28,32)
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n/an/a 0.704n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128543
PNG
(US8796244, 122)
Show SMILES OCCc1ccc(nc1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)14-29-22(33)30-18-3-1-2-17(10-18)20-13-28-21-11-16(6-8-31(20)21)19-5-4-15(7-9-32)12-27-19/h1-6,8,10-13,32H,7,9,14H2,(H2,29,30,33)
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n/an/a 0.704n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128550
PNG
(US8796244, 132)
Show SMILES CNc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H18F3N7O/c1-25-18-6-5-16(29-30-18)13-7-8-31-17(11-26-19(31)10-13)14-3-2-4-15(9-14)28-20(32)27-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,30)(H2,27,28,32)
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n/an/a 0.710n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128503
PNG
(US8796244, 82)
Show SMILES FC(F)(F)CNC(=O)Nc1cccc(c1)-c1cnc2cc(ccn12)-c1ccc(nn1)N1CCC1
Show InChI InChI=1S/C23H20F3N7O/c24-23(25,26)14-28-22(34)29-17-4-1-3-16(11-17)19-13-27-21-12-15(7-10-33(19)21)18-5-6-20(31-30-18)32-8-2-9-32/h1,3-7,10-13H,2,8-9,14H2,(H2,28,29,34)
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US Patent
n/an/a 0.715n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128497
PNG
(US8796244, 76)
Show SMILES CN1CCC(CC1)Nc1ccc(nn1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C26H27F3N8O/c1-36-10-8-19(9-11-36)32-23-6-5-21(34-35-23)17-7-12-37-22(15-30-24(37)14-17)18-3-2-4-20(13-18)33-25(38)31-16-26(27,28)29/h2-7,12-15,19H,8-11,16H2,1H3,(H,32,35)(H2,31,33,38)
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n/an/a 0.730n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128491
PNG
(US8796244, 70)
Show SMILES CN(C)C(=O)C(C)(C)N=CC(C=N)c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 |w:8.7|
Show InChI InChI=1S/C25H28F3N7O2/c1-24(2,22(36)34(3)4)32-13-18(12-29)16-8-9-35-20(14-30-21(35)11-16)17-6-5-7-19(10-17)33-23(37)31-15-25(26,27)28/h5-14,18,29H,15H2,1-4H3,(H2,31,33,37)
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n/an/a 0.740n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139909
PNG
(US8895745, 310)
Show SMILES Cc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C19H15F3N6OS/c1-11-26-27-17(30-11)13-5-6-28-15(9-23-16(28)8-13)12-3-2-4-14(7-12)25-18(29)24-10-19(20,21)22/h2-9H,10H2,1H3,(H2,24,25,29)
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n/an/a 0.780n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM128545
PNG
(US8796244, 124)
Show SMILES Nc1ccc(nc1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N6O/c22-21(23,24)12-28-20(31)29-16-3-1-2-14(8-16)18-11-27-19-9-13(6-7-30(18)19)17-5-4-15(25)10-26-17/h1-11H,12,25H2,(H2,28,29,31)
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n/an/a 0.789n/an/an/an/a8.025



Astex Therapeutics Ltd

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2 final concentration in 1 kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...


US Patent US8796244 (2014)


BindingDB Entry DOI: 10.7270/Q20C4TFP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM139914
PNG
(US8895745, 378)
Show SMILES Cc1c(nnn1C)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C20H18F3N7O/c1-12-18(27-28-29(12)2)14-6-7-30-16(10-24-17(30)9-14)13-4-3-5-15(8-13)26-19(31)25-11-20(21,22)23/h3-10H,11H2,1-2H3,(H2,25,26,31)
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US Patent
n/an/a 0.790n/an/an/an/a7.5n/a



Astex Therapeutics Limited

US Patent


Assay Description
Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...


US Patent US8895745 (2014)


BindingDB Entry DOI: 10.7270/Q2833QQC
More data for this
Ligand-Target Pair
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