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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'jeyaraj' and Initial = 'da'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175864
PNG
(Bz-Nle-Lys-Arg-Arg-B(OH)2 | CHEMBL199845)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#5](-[#8])-[#8]
Show InChI InChI=1S/C31H54BN11O7/c1-2-3-13-22(41-26(45)20-11-5-4-6-12-20)28(47)42-23(14-7-8-17-33)29(48)43-24(16-10-19-39-31(36)37)27(46)40-21(25(44)32(49)50)15-9-18-38-30(34)35/h4-6,11-12,21-24,49-50H,2-3,7-10,13-19,33H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t21-,22-,23-,24-/m0/s1
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43n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175863
PNG
(Bz-Nle-Lys-Arg-Arg-CF3 | CHEMBL200294)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)C(F)(F)F
Show InChI InChI=1S/C32H52F3N11O5/c1-2-3-13-22(44-26(48)20-11-5-4-6-12-20)28(50)45-23(14-7-8-17-36)29(51)46-24(16-10-19-42-31(39)40)27(49)43-21(25(47)32(33,34)35)15-9-18-41-30(37)38/h4-6,11-12,21-24H,2-3,7-10,13-19,36H2,1H3,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-/m0/s1
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850n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM33259
PNG
(Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1
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5.80E+3n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50228800
PNG
(Bz-Nle-Lys-Arg-Arg-Thiazole | CHEMBL271094 | N-((S...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1
Show InChI InChI=1S/C34H54N12O5S/c1-2-3-13-24(44-28(48)22-11-5-4-6-12-22)30(50)45-25(14-7-8-17-35)31(51)46-26(16-10-19-42-34(38)39)29(49)43-23(15-9-18-41-33(36)37)27(47)32-40-20-21-52-32/h4-6,11-12,20-21,23-26H,2-3,7-10,13-19,35H2,1H3,(H,43,49)(H,44,48)(H,45,50)(H,46,51)(H4,36,37,41)(H4,38,39,42)/t23-,24-,25-,26-/m0/s1
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4.28E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50228798
PNG
(Bz-Nle-Lys-Arg-Arg-Benzoxazole | CHEMBL256870 | N-...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1
Show InChI InChI=1S/C38H56N12O6/c1-2-3-15-27(47-32(52)24-13-5-4-6-14-24)34(54)48-28(17-9-10-21-39)35(55)49-29(19-12-23-45-38(42)43)33(53)46-26(18-11-22-44-37(40)41)31(51)36-50-25-16-7-8-20-30(25)56-36/h4-8,13-14,16,20,26-29H,2-3,9-12,15,17-19,21-23,39H2,1H3,(H,46,53)(H,47,52)(H,48,54)(H,49,55)(H4,40,41,44)(H4,42,43,45)/t26-,27-,28-,29-/m0/s1
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8.29E+4n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175869
PNG
(Bz-Nle-Lys-Arg-Arg-NH2 | CHEMBL198384)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C31H54N12O5/c1-2-3-13-22(41-26(45)20-11-5-4-6-12-20)28(47)42-23(14-7-8-17-32)29(48)43-24(16-10-19-39-31(36)37)27(46)40-21(25(33)44)15-9-18-38-30(34)35/h4-6,11-12,21-24H,2-3,7-10,13-19,32H2,1H3,(H2,33,44)(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t21-,22-,23-,24-/m0/s1
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1.28E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175865
PNG
(Bz-Nle-Lys-Arg-Arg(OH)-CONH-Bn | CHEMBL369918)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1
Show InChI InChI=1S/C39H62N12O6/c1-2-3-18-29(49-33(53)27-16-8-5-9-17-27)35(55)50-30(19-10-11-22-40)36(56)51-31(21-13-24-46-39(43)44)34(54)48-28(20-12-23-45-38(41)42)32(52)37(57)47-25-26-14-6-4-7-15-26/h4-9,14-17,28-32,52H,2-3,10-13,18-25,40H2,1H3,(H,47,57)(H,48,54)(H,49,53)(H,50,55)(H,51,56)(H4,41,42,45)(H4,43,44,46)/t28-,29-,30-,31-,32?/m0/s1
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1.78E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175861
PNG
(Bz-Nle-Lys-Thr-Arg-NH2 | CHEMBL199549)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
Show InChI InChI=1S/C29H49N9O6/c1-3-4-13-21(36-25(41)19-11-6-5-7-12-19)26(42)37-22(14-8-9-16-30)27(43)38-23(18(2)39)28(44)35-20(24(31)40)15-10-17-34-29(32)33/h5-7,11-12,18,20-23,39H,3-4,8-10,13-17,30H2,1-2H3,(H2,31,40)(H,35,44)(H,36,41)(H,37,42)(H,38,43)(H4,32,33,34)/t18-,20+,21+,22+,23+/m1/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175868
PNG
(Bz-Nle-Lys-Thr-Arg-H | CHEMBL199817)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
Show InChI InChI=1S/C29H48N8O6/c1-3-4-14-22(35-25(40)20-11-6-5-7-12-20)26(41)36-23(15-8-9-16-30)27(42)37-24(19(2)39)28(43)34-21(18-38)13-10-17-33-29(31)32/h5-7,11-12,18-19,21-24,39H,3-4,8-10,13-17,30H2,1-2H3,(H,34,43)(H,35,40)(H,36,41)(H,37,42)(H4,31,32,33)/t19-,21+,22+,23+,24+/m1/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175862
PNG
(Bz-Nle-Lys-Arg-Arg-H | Bz-Nle-Lys-Arg-Arg-OH | CHE...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C31H53N11O6/c1-2-3-13-21(39-25(43)20-11-5-4-6-12-20)26(44)40-22(14-7-8-17-32)27(45)41-23(15-9-18-37-30(33)34)28(46)42-24(29(47)48)16-10-19-38-31(35)36/h4-6,11-12,21-24H,2-3,7-10,13-19,32H2,1H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)(H,47,48)(H4,33,34,37)(H4,35,36,38)/t21-,22-,23-,24-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175860
PNG
(Bz-Nle-Lys-Thr-Arg-OH | CHEMBL383351)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C29H48N8O7/c1-3-4-13-20(34-24(39)19-11-6-5-7-12-19)25(40)35-21(14-8-9-16-30)26(41)37-23(18(2)38)27(42)36-22(28(43)44)15-10-17-33-29(31)32/h5-7,11-12,18,20-23,38H,3-4,8-10,13-17,30H2,1-2H3,(H,34,39)(H,35,40)(H,36,42)(H,37,41)(H,43,44)(H4,31,32,33)/t18-,20+,21+,22+,23+/m1/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Dengue virus type 2 NS3 protein


(Dengue virus 2)
BDBM50175858
PNG
(Bz-Nle-Lys-Arg-Arg-NHSO2CF3 | CHEMBL369917)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C32H53F3N12O7S/c1-2-3-13-21(43-25(48)20-11-5-4-6-12-20)26(49)44-22(14-7-8-17-36)27(50)45-23(15-9-18-41-30(37)38)28(51)46-24(16-10-19-42-31(39)40)29(52)47-55(53,54)32(33,34)35/h4-6,11-12,21-24H,2-3,7-10,13-19,36H2,1H3,(H,43,48)(H,44,49)(H,45,50)(H,46,51)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t21-,22-,23-,24-/m0/s1
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>5.00E+5n/an/an/an/an/an/an/an/a



Novartis Institute for Tropical Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against CF40.NS3pro from Dengue virus type 2


Bioorg Med Chem Lett 16: 36-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.062
BindingDB Entry DOI: 10.7270/Q2639P97
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170218
PNG
(CHEMBL3804952)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170223
PNG
(CHEMBL3805330)
Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170217
PNG
(CHEMBL3805114)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)19-21-5-6-22(18-25(21)27(28,29)30)32-26(35)17-20-3-7-23(8-4-20)36-24-9-11-31-12-10-24/h3-12,18H,2,13-17,19H2,1H3,(H,32,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170215
PNG
(CHEMBL3806261)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170171
PNG
(CHEMBL3805029)
Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170216
PNG
(CHEMBL3805956)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-12-14-34(15-13-33)18-22-5-8-23(16-25(22)27(28,29)30)32-26(35)19-36-24-9-6-20(7-10-24)21-4-3-11-31-17-21/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,32,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM31085
PNG
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170219
PNG
(CHEMBL3805074)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-6-7-21(15-23(20)27(28,29)30)34-25(37)14-19-4-8-22(9-5-19)38-26-16-24(31-2)32-18-33-26/h4-9,15-16,18H,3,10-14,17H2,1-2H3,(H,34,37)(H,31,32,33)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170166
PNG
(CHEMBL3804921)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170168
PNG
(CHEMBL3805865)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170167
PNG
(CHEMBL3805891)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170174
PNG
(CHEMBL3804941)
Show SMILES CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170222
PNG
(CHEMBL3805771)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170167
PNG
(CHEMBL3805891)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170223
PNG
(CHEMBL3805330)
Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170224
PNG
(CHEMBL3804972)
Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50170172
PNG
(CHEMBL3806240)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1
Show InChI InChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170168
PNG
(CHEMBL3805865)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170223
PNG
(CHEMBL3805330)
Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50170166
PNG
(CHEMBL3804921)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50170221
PNG
(CHEMBL3806189)
Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50170171
PNG
(CHEMBL3805029)
Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1
Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50170215
PNG
(CHEMBL3806261)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50170218
PNG
(CHEMBL3804952)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37)
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Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170167
PNG
(CHEMBL3805891)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39)
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n/an/a 380n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50170168
PNG
(CHEMBL3805865)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 390n/an/an/an/an/an/a



Experimental Therapeutics Centre

Curated by ChEMBL


Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using...


J Med Chem 59: 3063-78 (2016)


BindingDB Entry DOI: 10.7270/Q2028TF3
More data for this
Ligand-Target Pair
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