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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'fahnoe' and Initial = 'k'   
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))
BDBM438600
PNG
(US10618902, Compound I-281)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)|
Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438569
PNG
(US10618902, Compound I-250)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NS(=O)(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.98,5.76,;6.65,4.99,;6.65,3.45,;7.98,2.68,;7.98,1.14,;9.32,.37,;9.32,-1.27,;6.65,.37,;6.65,-1.17,;5.31,1.14,;5.31,2.68,;3.98,3.45,;3.98,.37,;2.65,1.14,;1.31,.37,;-.02,1.14,;-1.35,.37,;-1.35,-1.17,;-2.69,-1.94,;-4.02,-1.17,;-4.18,.36,;-5.69,.68,;-6.46,-.65,;-5.43,-1.8,;-5.75,-3.3,;-7.21,-3.78,;-8.36,-2.75,;-8.68,-4.25,;-7.53,-5.28,;-9,-5.76,;-.02,-1.94,;1.31,-1.17,;2.65,-1.94,;2.65,-3.48,;3.98,-1.17,;5.31,-1.94,)|
Show InChI InChI=1S/C22H23Cl2N5O6S/c1-5-36(31,32)28-14-10-35-9-13(14)26-22-25-8-11-6-12(21(30)29(2)20(11)27-22)17-18(23)15(33-3)7-16(34-4)19(17)24/h5-8,13-14,28H,1,9-10H2,2-4H3,(H,25,26,27)/t13-,14+/m1/s1
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM100954
PNG
(US10189794, Compound I-241 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438598
PNG
(US10618902, Compound I-279)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.16,-1.17,;9.16,.37,;7.82,1.14,;7.82,2.68,;6.49,3.45,;6.49,4.99,;7.82,5.76,;5.16,2.68,;3.82,3.45,;5.16,1.14,;6.49,.37,;6.49,-1.17,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C23H23ClFN5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438598
PNG
(US10618902, Compound I-279)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.16,-1.17,;9.16,.37,;7.82,1.14,;7.82,2.68,;6.49,3.45,;6.49,4.99,;7.82,5.76,;5.16,2.68,;3.82,3.45,;5.16,1.14,;6.49,.37,;6.49,-1.17,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C23H23ClFN5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
PDB

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UniProtKB/SwissProt

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PC sid
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n/an/a 7.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM100954
PNG
(US10189794, Compound I-241 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438613
PNG
(US10618902, Compound I-294)
Show SMILES COc1cc(OC)c(C)c(c1C)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.82,5.76,;6.49,4.99,;6.49,3.45,;7.82,2.68,;7.82,1.14,;9.16,.37,;9.16,-1.17,;6.49,.37,;6.49,-1.17,;5.16,1.14,;5.16,2.68,;3.82,3.45,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C25H29N5O5/c1-7-21(31)27-17-11-35-12-18(17)28-25-26-10-15-8-16(24(32)30(4)23(15)29-25)22-13(2)19(33-5)9-20(34-6)14(22)3/h7-10,17-18H,1,11-12H2,2-6H3,(H,27,31)(H,26,28,29)/t17-,18+/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438600
PNG
(US10618902, Compound I-281)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)|
Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438573
PNG
(US10618902, Compound I-254)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r|
Show InChI InChI=1S/C23H24ClN5O5/c1-5-19(30)26-16-10-34-11-17(16)27-23-25-9-12-6-15(22(31)29(2)21(12)28-23)14-7-13(32-3)8-18(33-4)20(14)24/h5-9,16-17H,1,10-11H2,2-4H3,(H,26,30)(H,25,27,28)/t16-,17+/m0/s1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438569
PNG
(US10618902, Compound I-250)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NS(=O)(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.98,5.76,;6.65,4.99,;6.65,3.45,;7.98,2.68,;7.98,1.14,;9.32,.37,;9.32,-1.27,;6.65,.37,;6.65,-1.17,;5.31,1.14,;5.31,2.68,;3.98,3.45,;3.98,.37,;2.65,1.14,;1.31,.37,;-.02,1.14,;-1.35,.37,;-1.35,-1.17,;-2.69,-1.94,;-4.02,-1.17,;-4.18,.36,;-5.69,.68,;-6.46,-.65,;-5.43,-1.8,;-5.75,-3.3,;-7.21,-3.78,;-8.36,-2.75,;-8.68,-4.25,;-7.53,-5.28,;-9,-5.76,;-.02,-1.94,;1.31,-1.17,;2.65,-1.94,;2.65,-3.48,;3.98,-1.17,;5.31,-1.94,)|
Show InChI InChI=1S/C22H23Cl2N5O6S/c1-5-36(31,32)28-14-10-35-9-13(14)26-22-25-8-11-6-12(21(30)29(2)20(11)27-22)17-18(23)15(33-3)7-16(34-4)19(17)24/h5-8,13-14,28H,1,9-10H2,2-4H3,(H,25,26,27)/t13-,14+/m1/s1
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UniProtKB/SwissProt

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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438613
PNG
(US10618902, Compound I-294)
Show SMILES COc1cc(OC)c(C)c(c1C)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.82,5.76,;6.49,4.99,;6.49,3.45,;7.82,2.68,;7.82,1.14,;9.16,.37,;9.16,-1.17,;6.49,.37,;6.49,-1.17,;5.16,1.14,;5.16,2.68,;3.82,3.45,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C25H29N5O5/c1-7-21(31)27-17-11-35-12-18(17)28-25-26-10-15-8-16(24(32)30(4)23(15)29-25)22-13(2)19(33-5)9-20(34-6)14(22)3/h7-10,17-18H,1,11-12H2,2-6H3,(H,27,31)(H,26,28,29)/t17-,18+/m0/s1
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TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438573
PNG
(US10618902, Compound I-254)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r|
Show InChI InChI=1S/C23H24ClN5O5/c1-5-19(30)26-16-10-34-11-17(16)27-23-25-9-12-6-15(22(31)29(2)21(12)28-23)14-7-13(32-3)8-18(33-4)20(14)24/h5-9,16-17H,1,10-11H2,2-4H3,(H,26,30)(H,25,27,28)/t16-,17+/m0/s1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
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n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438569
PNG
(US10618902, Compound I-250)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NS(=O)(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.98,5.76,;6.65,4.99,;6.65,3.45,;7.98,2.68,;7.98,1.14,;9.32,.37,;9.32,-1.27,;6.65,.37,;6.65,-1.17,;5.31,1.14,;5.31,2.68,;3.98,3.45,;3.98,.37,;2.65,1.14,;1.31,.37,;-.02,1.14,;-1.35,.37,;-1.35,-1.17,;-2.69,-1.94,;-4.02,-1.17,;-4.18,.36,;-5.69,.68,;-6.46,-.65,;-5.43,-1.8,;-5.75,-3.3,;-7.21,-3.78,;-8.36,-2.75,;-8.68,-4.25,;-7.53,-5.28,;-9,-5.76,;-.02,-1.94,;1.31,-1.17,;2.65,-1.94,;2.65,-3.48,;3.98,-1.17,;5.31,-1.94,)|
Show InChI InChI=1S/C22H23Cl2N5O6S/c1-5-36(31,32)28-14-10-35-9-13(14)26-22-25-8-11-6-12(21(30)29(2)20(11)27-22)17-18(23)15(33-3)7-16(34-4)19(17)24/h5-8,13-14,28H,1,9-10H2,2-4H3,(H,25,26,27)/t13-,14+/m1/s1
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n/an/a 102n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Rattus norvegicus)
BDBM50172933
PNG
(5-chloro-N'-(2-(trifluoromethyl)phenylsulfonyl)-1H...)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H11ClF3N3O3S/c17-10-5-6-12-9(7-10)8-13(21-12)15(24)22-23-27(25,26)14-4-2-1-3-11(14)16(18,19)20/h1-8,21,23H,(H,22,24)
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438569
PNG
(US10618902, Compound I-250)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NS(=O)(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.98,5.76,;6.65,4.99,;6.65,3.45,;7.98,2.68,;7.98,1.14,;9.32,.37,;9.32,-1.27,;6.65,.37,;6.65,-1.17,;5.31,1.14,;5.31,2.68,;3.98,3.45,;3.98,.37,;2.65,1.14,;1.31,.37,;-.02,1.14,;-1.35,.37,;-1.35,-1.17,;-2.69,-1.94,;-4.02,-1.17,;-4.18,.36,;-5.69,.68,;-6.46,-.65,;-5.43,-1.8,;-5.75,-3.3,;-7.21,-3.78,;-8.36,-2.75,;-8.68,-4.25,;-7.53,-5.28,;-9,-5.76,;-.02,-1.94,;1.31,-1.17,;2.65,-1.94,;2.65,-3.48,;3.98,-1.17,;5.31,-1.94,)|
Show InChI InChI=1S/C22H23Cl2N5O6S/c1-5-36(31,32)28-14-10-35-9-13(14)26-22-25-8-11-6-12(21(30)29(2)20(11)27-22)17-18(23)15(33-3)7-16(34-4)19(17)24/h5-8,13-14,28H,1,9-10H2,2-4H3,(H,25,26,27)/t13-,14+/m1/s1
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n/an/a 218n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
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n/an/a 247n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50561591
PNG
(CHEMBL4793510)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(19.41,-17.19,;18.08,-17.97,;18.08,-19.51,;19.42,-20.27,;19.43,-21.82,;20.76,-22.6,;20.77,-24.14,;18.09,-22.6,;18.09,-24.14,;16.75,-21.82,;16.75,-20.28,;15.42,-19.51,;15.42,-22.59,;14.09,-21.81,;12.77,-22.59,;11.45,-21.8,;10.11,-22.56,;10.1,-24.1,;8.76,-24.86,;7.43,-24.09,;7.28,-22.55,;5.77,-22.22,;5,-23.55,;6.02,-24.7,;5.69,-26.21,;4.22,-26.67,;3.08,-25.64,;3.89,-28.18,;2.42,-28.65,;11.42,-24.87,;12.75,-24.12,;14.09,-24.89,;14.08,-26.43,;15.43,-24.13,;16.76,-24.9,)|
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n/an/a 359n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50561590
PNG
(CHEMBL4799328)
Show SMILES CCC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1 |r,wU:9.10,5.4,(32.54,-12.31,;34.01,-11.84,;34.34,-10.34,;33.2,-9.3,;35.8,-9.87,;36.13,-8.37,;35.11,-7.21,;35.89,-5.88,;37.39,-6.22,;37.55,-7.75,;38.88,-8.53,;40.22,-7.77,;40.23,-6.23,;41.57,-5.47,;42.89,-6.25,;44.21,-5.48,;45.54,-6.26,;46.87,-5.49,;46.87,-3.94,;45.54,-3.18,;48.2,-3.17,;48.2,-1.63,;49.53,-.86,;49.54,-3.93,;49.54,-5.49,;50.88,-6.26,;50.88,-7.8,;48.21,-6.26,;48.2,-7.8,;45.55,-7.79,;46.88,-8.56,;44.21,-8.56,;44.2,-10.1,;42.87,-7.79,;41.54,-8.54,)|
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n/an/a 377n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50561590
PNG
(CHEMBL4799328)
Show SMILES CCC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1 |r,wU:9.10,5.4,(32.54,-12.31,;34.01,-11.84,;34.34,-10.34,;33.2,-9.3,;35.8,-9.87,;36.13,-8.37,;35.11,-7.21,;35.89,-5.88,;37.39,-6.22,;37.55,-7.75,;38.88,-8.53,;40.22,-7.77,;40.23,-6.23,;41.57,-5.47,;42.89,-6.25,;44.21,-5.48,;45.54,-6.26,;46.87,-5.49,;46.87,-3.94,;45.54,-3.18,;48.2,-3.17,;48.2,-1.63,;49.53,-.86,;49.54,-3.93,;49.54,-5.49,;50.88,-6.26,;50.88,-7.8,;48.21,-6.26,;48.2,-7.8,;45.55,-7.79,;46.88,-8.56,;44.21,-8.56,;44.2,-10.1,;42.87,-7.79,;41.54,-8.54,)|
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n/an/a 394n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM100954
PNG
(US10189794, Compound I-241 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 505n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438598
PNG
(US10618902, Compound I-279)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.16,-1.17,;9.16,.37,;7.82,1.14,;7.82,2.68,;6.49,3.45,;6.49,4.99,;7.82,5.76,;5.16,2.68,;3.82,3.45,;5.16,1.14,;6.49,.37,;6.49,-1.17,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C23H23ClFN5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 563n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438574
PNG
(US10618902, Compound I-255)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r|
Show InChI InChI=1S/C23H25N5O5/c1-5-20(29)25-18-11-33-12-19(18)26-23-24-10-14-8-17(22(30)28(2)21(14)27-23)13-6-15(31-3)9-16(7-13)32-4/h5-10,18-19H,1,11-12H2,2-4H3,(H,25,29)(H,24,26,27)/t18-,19+/m0/s1
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n/an/a 588n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438598
PNG
(US10618902, Compound I-279)
Show SMILES COc1cc(OC)c(Cl)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.16,-1.17,;9.16,.37,;7.82,1.14,;7.82,2.68,;6.49,3.45,;6.49,4.99,;7.82,5.76,;5.16,2.68,;3.82,3.45,;5.16,1.14,;6.49,.37,;6.49,-1.17,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C23H23ClFN5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 617n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438600
PNG
(US10618902, Compound I-281)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)|
Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 672n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438574
PNG
(US10618902, Compound I-255)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r|
Show InChI InChI=1S/C23H25N5O5/c1-5-20(29)25-18-11-33-12-19(18)26-23-24-10-14-8-17(22(30)28(2)21(14)27-23)13-6-15(31-3)9-16(7-13)32-4/h5-10,18-19H,1,11-12H2,2-4H3,(H,25,29)(H,24,26,27)/t18-,19+/m0/s1
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n/an/a 685n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM100953
PNG
(US10189794, Compound I-240 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3COC[C@H]3NC(=O)C=C)nc2n(C)c1=O |r,wD:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m1/s1
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n/an/a 776n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172933
PNG
(5-chloro-N'-(2-(trifluoromethyl)phenylsulfonyl)-1H...)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H11ClF3N3O3S/c17-10-5-6-12-9(7-10)8-13(21-12)15(24)22-23-27(25,26)14-4-2-1-3-11(14)16(18,19)20/h1-8,21,23H,(H,22,24)
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n/an/a 800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM100954
PNG
(US10189794, Compound I-241 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 842n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172943
PNG
(5-chloro-N'-(o-tolylsulfonyl)-1H-indole-2-carbohyd...)
Show SMILES Cc1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H14ClN3O3S/c1-10-4-2-3-5-15(10)24(22,23)20-19-16(21)14-9-11-8-12(17)6-7-13(11)18-14/h2-9,18,20H,1H3,(H,19,21)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438600
PNG
(US10618902, Compound I-281)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)|
Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172934
PNG
(5-chloro-N'-(m-tolylsulfonyl)-1H-indole-2-carbohyd...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H14ClN3O3S/c1-10-3-2-4-13(7-10)24(22,23)20-19-16(21)15-9-11-8-12(17)5-6-14(11)18-15/h2-9,18,20H,1H3,(H,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM100953
PNG
(US10189794, Compound I-240 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3COC[C@H]3NC(=O)C=C)nc2n(C)c1=O |r,wD:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m1/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438573
PNG
(US10618902, Compound I-254)
Show SMILES COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r|
Show InChI InChI=1S/C23H24ClN5O5/c1-5-19(30)26-16-10-34-11-17(16)27-23-25-9-12-6-15(22(31)29(2)21(12)28-23)14-7-13(32-3)8-18(33-4)20(14)24/h5-9,16-17H,1,10-11H2,2-4H3,(H,26,30)(H,25,27,28)/t16-,17+/m0/s1
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n/an/a 2.16E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM100953
PNG
(US10189794, Compound I-240 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3COC[C@H]3NC(=O)C=C)nc2n(C)c1=O |r,wD:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m1/s1
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n/an/a 2.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50561590
PNG
(CHEMBL4799328)
Show SMILES CCC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1 |r,wU:9.10,5.4,(32.54,-12.31,;34.01,-11.84,;34.34,-10.34,;33.2,-9.3,;35.8,-9.87,;36.13,-8.37,;35.11,-7.21,;35.89,-5.88,;37.39,-6.22,;37.55,-7.75,;38.88,-8.53,;40.22,-7.77,;40.23,-6.23,;41.57,-5.47,;42.89,-6.25,;44.21,-5.48,;45.54,-6.26,;46.87,-5.49,;46.87,-3.94,;45.54,-3.18,;48.2,-3.17,;48.2,-1.63,;49.53,-.86,;49.54,-3.93,;49.54,-5.49,;50.88,-6.26,;50.88,-7.8,;48.21,-6.26,;48.2,-7.8,;45.55,-7.79,;46.88,-8.56,;44.21,-8.56,;44.2,-10.1,;42.87,-7.79,;41.54,-8.54,)|
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n/an/a 2.34E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172945
PNG
(CHEMBL205902 | N'-(phenylsulfonyl)dibenzo[b,d]fura...)
Show SMILES O=C(NNS(=O)(=O)c1ccccc1)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C19H14N2O4S/c22-19(20-21-26(23,24)14-6-2-1-3-7-14)13-10-11-18-16(12-13)15-8-4-5-9-17(15)25-18/h1-12,21H,(H,20,22)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172944
PNG
(5-bromo-N'-(phenylsulfonyl)benzofuran-2-carbohydra...)
Show SMILES Brc1ccc2oc(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11BrN2O4S/c16-11-6-7-13-10(8-11)9-14(22-13)15(19)17-18-23(20,21)12-4-2-1-3-5-12/h1-9,18H,(H,17,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172940
PNG
(CHEMBL437702 | N'-[(3-methylphenyl)sulfonyl]dibenz...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C20H16N2O4S/c1-13-5-4-6-15(11-13)27(24,25)22-21-20(23)14-9-10-19-17(12-14)16-7-2-3-8-18(16)26-19/h2-12,22H,1H3,(H,21,23)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50561590
PNG
(CHEMBL4799328)
Show SMILES CCC(=O)N[C@H]1COC[C@H]1Nc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(C)c2n1 |r,wU:9.10,5.4,(32.54,-12.31,;34.01,-11.84,;34.34,-10.34,;33.2,-9.3,;35.8,-9.87,;36.13,-8.37,;35.11,-7.21,;35.89,-5.88,;37.39,-6.22,;37.55,-7.75,;38.88,-8.53,;40.22,-7.77,;40.23,-6.23,;41.57,-5.47,;42.89,-6.25,;44.21,-5.48,;45.54,-6.26,;46.87,-5.49,;46.87,-3.94,;45.54,-3.18,;48.2,-3.17,;48.2,-1.63,;49.53,-.86,;49.54,-3.93,;49.54,-5.49,;50.88,-6.26,;50.88,-7.8,;48.21,-6.26,;48.2,-7.8,;45.55,-7.79,;46.88,-8.56,;44.21,-8.56,;44.2,-10.1,;42.87,-7.79,;41.54,-8.54,)|
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n/an/a 2.93E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, mitochondrial


(Rattus norvegicus)
BDBM50172933
PNG
(5-chloro-N'-(2-(trifluoromethyl)phenylsulfonyl)-1H...)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C16H11ClF3N3O3S/c17-10-5-6-12-9(7-10)8-13(21-12)15(24)22-23-27(25,26)14-4-2-1-3-11(14)16(18,19)20/h1-8,21,23H,(H,22,24)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat BCATm


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM100953
PNG
(US10189794, Compound I-240 | US10618902, Compound ...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@H]3COC[C@H]3NC(=O)C=C)nc2n(C)c1=O |r,wD:19.19,23.25,(9.29,-1.34,;9.29,.2,;7.95,.97,;7.95,2.51,;6.62,3.28,;6.62,4.82,;5.29,5.59,;5.29,2.51,;3.95,3.28,;5.29,.97,;6.62,.2,;6.62,-1.34,;3.95,.2,;2.62,.97,;1.28,.2,;-.05,.97,;-1.38,.2,;-1.38,-1.34,;-2.72,-2.11,;-4.05,-1.34,;-4.05,.2,;-5.51,.67,;-6.42,-.57,;-5.51,-1.82,;-5.91,-3.3,;-7.4,-3.7,;-8.49,-2.61,;-7.8,-5.19,;-9.29,-5.59,;-.05,-2.11,;1.28,-1.34,;2.62,-2.11,;2.62,-3.65,;3.95,-1.34,;5.29,-2.11,)|
Show InChI InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m1/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172931
PNG
(CHEMBL205475 | N'-[(2-methylphenyl)sulfonyl]dibenz...)
Show SMILES Cc1ccccc1S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C20H16N2O4S/c1-13-6-2-5-9-19(13)27(24,25)22-21-20(23)14-10-11-18-16(12-14)15-7-3-4-8-17(15)26-18/h2-12,22H,1H3,(H,21,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172942
PNG
(5-chloro-N'-(phenylsulfonyl)benzofuran-2-carbohydr...)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H11ClN2O4S/c16-11-6-7-13-10(8-11)9-14(22-13)15(19)17-18-23(20,21)12-4-2-1-3-5-12/h1-9,18H,(H,17,19)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438613
PNG
(US10618902, Compound I-294)
Show SMILES COc1cc(OC)c(C)c(c1C)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.82,5.76,;6.49,4.99,;6.49,3.45,;7.82,2.68,;7.82,1.14,;9.16,.37,;9.16,-1.17,;6.49,.37,;6.49,-1.17,;5.16,1.14,;5.16,2.68,;3.82,3.45,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C25H29N5O5/c1-7-21(31)27-17-11-35-12-18(17)28-25-26-10-15-8-16(24(32)30(4)23(15)29-25)22-13(2)19(33-5)9-20(34-6)14(22)3/h7-10,17-18H,1,11-12H2,2-6H3,(H,27,31)(H,26,28,29)/t17-,18+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438574
PNG
(US10618902, Compound I-255)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r|
Show InChI InChI=1S/C23H25N5O5/c1-5-20(29)25-18-11-33-12-19(18)26-23-24-10-14-8-17(22(30)28(2)21(14)27-23)13-6-15(31-3)9-16(7-13)32-4/h5-10,18-19H,1,11-12H2,2-4H3,(H,25,29)(H,24,26,27)/t18-,19+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR2 (unknown origin) expressed in KATO -III cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discove...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438613
PNG
(US10618902, Compound I-294)
Show SMILES COc1cc(OC)c(C)c(c1C)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(7.82,5.76,;6.49,4.99,;6.49,3.45,;7.82,2.68,;7.82,1.14,;9.16,.37,;9.16,-1.17,;6.49,.37,;6.49,-1.17,;5.16,1.14,;5.16,2.68,;3.82,3.45,;3.82,.37,;2.49,1.14,;1.15,.37,;-.18,1.14,;-1.51,.37,;-1.51,-1.17,;-2.85,-1.94,;-4.18,-1.17,;-4.34,.36,;-5.85,.68,;-6.62,-.65,;-5.59,-1.8,;-5.91,-3.3,;-7.37,-3.78,;-8.52,-2.75,;-7.69,-5.28,;-9.16,-5.76,;-.18,-1.94,;1.15,-1.17,;2.49,-1.94,;2.49,-3.48,;3.82,-1.17,;5.16,-1.94,)|
Show InChI InChI=1S/C25H29N5O5/c1-7-21(31)27-17-11-35-12-18(17)28-25-26-10-15-8-16(24(32)30(4)23(15)29-25)22-13(2)19(33-5)9-20(34-6)14(22)3/h7-10,17-18H,1,11-12H2,2-6H3,(H,27,31)(H,26,28,29)/t17-,18+/m0/s1
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n/an/a 5.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Branched-chain-amino-acid aminotransferase, cytosolic


(Homo sapiens (Human))
BDBM50172932
PNG
(5-chloro-N'-(2-chlorophenylsulfonyl)-1H-indole-2-c...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NNS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H11Cl2N3O3S/c16-10-5-6-12-9(7-10)8-13(18-12)15(21)19-20-24(22,23)14-4-2-1-3-11(14)17/h1-8,18,20H,(H,19,21)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human BCATc


Bioorg Med Chem Lett 16: 2337-40 (2006)


Article DOI: 10.1016/j.bmcl.2005.07.058
BindingDB Entry DOI: 10.7270/Q2F47NQZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM438574
PNG
(US10618902, Compound I-255)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r|
Show InChI InChI=1S/C23H25N5O5/c1-5-20(29)25-18-11-33-12-19(18)26-23-24-10-14-8-17(22(30)28(2)21(14)27-23)13-6-15(31-3)9-16(7-13)32-4/h5-10,18-19H,1,11-12H2,2-4H3,(H,25,29)(H,24,26,27)/t18-,19+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human tagged FGFR2 using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
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