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Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'yan' and Initial = 'hx'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50386751
PNG
(CHEMBL2046884)
Show SMILES O=C(Nc1nnc(Sc2ncnc3cc(OCCCN4CCOCC4)ccc23)s1)Nc1cccc(c1)C#C
Show InChI InChI=1S/C26H25N7O3S2/c1-2-18-5-3-6-19(15-18)29-24(34)30-25-31-32-26(38-25)37-23-21-8-7-20(16-22(21)27-17-28-23)36-12-4-9-33-10-13-35-14-11-33/h1,3,5-8,15-17H,4,9-14H2,(H2,29,30,31,34)
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n/an/a 6n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


J Med Chem 55: 3852-66 (2012)


Article DOI: 10.1021/jm300042x
BindingDB Entry DOI: 10.7270/Q2M61M94
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human FLT4 (800 to end residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50386750
PNG
(CHEMBL2046699)
Show SMILES COc1cc2ncnc(Sc3nccs3)c2cc1OC
Show InChI InChI=1S/C13H11N3O2S2/c1-17-10-5-8-9(6-11(10)18-2)15-7-16-12(8)20-13-14-3-4-19-13/h3-7H,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


J Med Chem 55: 3852-66 (2012)


Article DOI: 10.1021/jm300042x
BindingDB Entry DOI: 10.7270/Q2M61M94
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FLT1 (783 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by sci...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50386748
PNG
(CHEMBL2046726)
Show SMILES COc1cc2ncnc(Sc3nncs3)c2cc1OC
Show InChI InChI=1S/C12H10N4O2S2/c1-17-9-3-7-8(4-10(9)18-2)13-5-14-11(7)20-12-16-15-6-19-12/h3-6H,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


J Med Chem 55: 3852-66 (2012)


Article DOI: 10.1021/jm300042x
BindingDB Entry DOI: 10.7270/Q2M61M94
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563913
PNG
(CHEMBL4779887)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563899
PNG
(CHEMBL4789515)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)cc2F)no1
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50386749
PNG
(CHEMBL2046883)
Show SMILES Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1
Show InChI InChI=1S/C25H27N7O3S2/c1-17-3-5-18(6-4-17)28-23(33)29-24-30-31-25(37-24)36-22-20-8-7-19(15-21(20)26-16-27-22)35-12-2-9-32-10-13-34-14-11-32/h3-8,15-16H,2,9-14H2,1H3,(H2,28,29,30,33)
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n/an/a 10n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


J Med Chem 55: 3852-66 (2012)


Article DOI: 10.1021/jm300042x
BindingDB Entry DOI: 10.7270/Q2M61M94
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50244787
PNG
((R)-2-(1-Hydroxybut-2-ylamino)-6-[3-(2-pyridyl)phe...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full-length human ZAK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting b...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TRKC (510 to end residues) using GEEPLYWSFPAKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563900
PNG
(CHEMBL4784865)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)c(F)c2)no1
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563900
PNG
(CHEMBL4784865)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)c(F)c2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563895
PNG
(CHEMBL4784000)
Show SMILES COc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Nc1ncnc2NCCOc12
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563894
PNG
(CHEMBL4797687)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)c(O)c2)no1
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563900
PNG
(CHEMBL4784865)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)c(F)c2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563895
PNG
(CHEMBL4784000)
Show SMILES COc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Nc1ncnc2NCCOc12
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50399656
PNG
(CHEMBL2069623 | US11633415, Compound PF4800567)
Show SMILES Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1
Show InChI InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1epsilon


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563895
PNG
(CHEMBL4784000)
Show SMILES COc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Nc1ncnc2NCCOc12
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TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563913
PNG
(CHEMBL4779887)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563898
PNG
(CHEMBL4798046)
Show SMILES Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Nc1ncnc2NCCOc12
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TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563898
PNG
(CHEMBL4798046)
Show SMILES Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Nc1ncnc2NCCOc12
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human full length SAPK2b using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human PTK5 (218 to end residues) using GGEEEEYFELVKKKK as substrate incubated for 40 mins in presence of [gamma33P]ATP by s...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563915
PNG
(CHEMBL4794949)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)nc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human DDR2 (467 to end residues) using KKSRGDYMTMQIG as substrate incubated for 40 mins in presence of [gamma-33ATP] by sci...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563899
PNG
(CHEMBL4789515)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)cc2F)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563913
PNG
(CHEMBL4779887)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563894
PNG
(CHEMBL4797687)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)c(O)c2)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human TRKB (455 to end residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]ATP b...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human TRKA (440 to end residues) using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma33P]ATP by sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50021574
PNG
(BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC
Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
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Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563915
PNG
(CHEMBL4794949)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)nc2)no1
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TBA

Assay Description
Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated for 15 mins followed by Mg/ATP addition and measured after 40 mins by...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50420281
PNG
(CHEMBL2089212)
Show SMILES Nc1[nH]nc2nc(Nc3cccc(NC(=O)Nc4ccc(F)c(Cl)c4)c3)ncc12
Show InChI InChI=1S/C18H14ClFN8O/c19-13-7-11(4-5-14(13)20)25-18(29)24-10-3-1-2-9(6-10)23-17-22-8-12-15(21)27-28-16(12)26-17/h1-8H,(H2,24,25,29)(H4,21,22,23,26,27,28)
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1 using KRRRALS(p)VASLPGL as substrate after 40 mins by scintillation counter


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50364141
PNG
(CHEMBL1951415)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCCCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of CK1delta


Eur J Med Chem 56: 30-38 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.007
BindingDB Entry DOI: 10.7270/Q2FJ2J2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563898
PNG
(CHEMBL4798046)
Show SMILES Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Nc1ncnc2NCCOc12
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of human HCK (230 to 497 residues) using KVEKIGEGTYGVVYK as substrate after 40 mins by [gamma-33ATP] radiometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50563899
PNG
(CHEMBL4789515)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCOc34)cc2F)no1
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TBA

Assay Description
Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrate incubated for 15 mins followed by Mg/ATP addition and measured afte...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human EphA2 (596 to 900 residues) using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma-33ATP] ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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TBA

Assay Description
Inhibition of recombinant human Lyn using poly(Glu, Tyr) 4:1 as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
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