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Compile Data Set for Download or QSAR

Found 426 hits with Last Name = 'takeuchi' and Initial = 't'   
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
DNA polymerase beta


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant rat DNA polymerase beta using poly(dA)/oligo(dT)18 as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase kappa


(Homo sapiens (Human))
BDBM50379292
PNG
(CHEMBL2011646)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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9.85E+3n/an/an/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli using dTTP as substrate by Dixon plot analy...


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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1.16E+4n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of recombinant rat DNA polymerase beta using dTTP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase kappa


(Homo sapiens (Human))
BDBM50379292
PNG
(CHEMBL2011646)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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1.81E+4n/an/an/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli using ploy(dA)/oligo(dT)18 as substrate...


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
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))
BDBM50399537
PNG
(CHEMBL2180604)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1
Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)
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n/an/a 0.0930n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 60 mins by AlphaScreen assay in presence of 1000 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432398
PNG
(CHEMBL2348996)
Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1
Show InChI InChI=1S/C22H21N7O3/c1-13-10-17(28(2)26-13)22(31)23-15-4-3-5-16(11-15)32-20-9-8-19-24-18(12-29(19)27-20)25-21(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,30)
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n/an/a 0.190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 60 mins by AlphaScreen assay in presence of 1000 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082445
PNG
(CHEMBL3422978)
Show SMILES FC(F)(F)c1cnc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2c1
Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)17-11-19-22(31-12-17)16(4-10-30-19)3-5-25-8-6-24(7-9-25,15-37-25)32-13-18-1-2-20-23(33-18)34-21(35)14-36-20/h1-2,4,10-12,32H,3,5-9,13-15H2,(H,33,34,35)
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n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082380
PNG
(CHEMBL3422952)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1F
Show InChI InChI=1S/C26H27F2N5O4/c1-35-24-17(27)10-19-22(33-24)16(18(28)12-29-19)4-5-26-8-6-25(7-9-26,14-37-26)30-11-15-2-3-20-23(31-15)32-21(34)13-36-20/h2-3,10,12,30H,4-9,11,13-14H2,1H3,(H,31,32,34)
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n/an/a 0.730n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082429
PNG
(CHEMBL3422970)
Show SMILES Cc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N
Show InChI InChI=1S/C27H28N6O3/c1-17-19(13-28)12-21-24(31-17)18(5-11-29-21)4-6-27-9-7-26(8-10-27,16-36-27)30-14-20-2-3-22-25(32-20)33-23(34)15-35-22/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,32,33,34)
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n/an/a 0.870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082385
PNG
(CHEMBL3422959)
Show SMILES Fc1cnc2cc(cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O3/c27-18-12-31-19-9-15(26(28,29)30)10-32-22(19)17(18)3-4-25-7-5-24(6-8-25,14-38-25)33-11-16-1-2-20-23(34-16)35-21(36)13-37-20/h1-2,9-10,12,33H,3-8,11,13-14H2,(H,34,35,36)
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n/an/a 0.890n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
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))
BDBM50399537
PNG
(CHEMBL2180604)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1
Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)
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n/an/a 0.950n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432408
PNG
(CHEMBL2348998)
Show SMILES Cc1cc(nn1C)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
Show InChI InChI=1S/C22H21N7O3/c1-13-10-17(26-28(13)2)22(31)23-15-4-3-5-16(11-15)32-20-9-8-19-24-18(12-29(19)27-20)25-21(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,30)
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n/an/a 0.960n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082440
PNG
(CHEMBL3422977)
Show SMILES FC(F)(F)c1ccc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C26H26F3N5O3/c27-26(28,29)20-4-2-18-22(33-20)16(6-12-30-18)5-7-25-10-8-24(9-11-25,15-37-25)31-13-17-1-3-19-23(32-17)34-21(35)14-36-19/h1-4,6,12,31H,5,7-11,13-15H2,(H,32,34,35)
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n/an/a 0.990n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
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))
BDBM50432399
PNG
(CHEMBL2349006)
Show SMILES Fc1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
Show InChI InChI=1S/C23H18FN5O3/c24-16-4-1-3-15(11-16)23(31)25-17-5-2-6-18(12-17)32-21-10-9-20-26-19(13-29(20)28-21)27-22(30)14-7-8-14/h1-6,9-14H,7-8H2,(H,25,31)(H,27,30)
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n/an/a 1n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50399537
PNG
(CHEMBL2180604)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1
Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin) by AlphaScreen assay


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432415
PNG
(CHEMBL2349005)
Show SMILES CC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(F)c4)c3)ccc2n1
Show InChI InChI=1S/C21H16FN5O3/c1-13(28)23-18-12-27-19(25-18)8-9-20(26-27)30-17-7-3-6-16(11-17)24-21(29)14-4-2-5-15(22)10-14/h2-12H,1H3,(H,23,28)(H,24,29)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432397
PNG
(CHEMBL2348989)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CCOCC4)cn3n2)c1
Show InChI InChI=1S/C26H22F3N5O4/c27-26(28,29)18-4-1-3-17(13-18)25(36)30-19-5-2-6-20(14-19)38-23-8-7-22-31-21(15-34(22)33-23)32-24(35)16-9-11-37-12-10-16/h1-8,13-16H,9-12H2,(H,30,36)(H,32,35)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 60 mins by AlphaScreen assay in presence of 1000 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432401
PNG
(CHEMBL2348991)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-17(29(2)27-12)22(32)24-16-10-14(5-6-15(16)23)33-20-8-7-19-25-18(11-30(19)28-20)26-21(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,31)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50399537
PNG
(CHEMBL2180604)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1
Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 1000 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432406
PNG
(CHEMBL2348995)
Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H23N7O3/c1-17-14-22(34(31-17)20-7-3-2-4-8-20)27(36)28-19-6-5-9-21(15-19)37-25-13-12-24-29-23(16-33(24)32-25)30-26(35)18-10-11-18/h2-9,12-16,18H,10-11H2,1H3,(H,28,36)(H,30,35)
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082382
PNG
(CHEMBL3422954)
Show SMILES CCOc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C28H32FN5O4/c1-3-36-23-12-17(2)24-25(34-23)19(20(29)14-30-24)6-7-28-10-8-27(9-11-28,16-38-28)31-13-18-4-5-21-26(32-18)33-22(35)15-37-21/h4-5,12,14,31H,3,6-11,13,15-16H2,1-2H3,(H,32,33,35)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082435
PNG
(CHEMBL3422976)
Show SMILES CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F
Show InChI InChI=1S/C27H31FN6O3/c1-34(2)25-19(28)13-20-23(33-25)17(6-12-29-20)5-7-27-10-8-26(9-11-27,16-37-27)30-14-18-3-4-21-24(31-18)32-22(35)15-36-21/h3-4,6,12-13,30H,5,7-11,14-16H2,1-2H3,(H,31,32,35)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
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))
BDBM50432409
PNG
(CHEMBL2348999)
Show SMILES Cn1nncc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
Show InChI InChI=1S/C20H18N8O3/c1-27-15(10-21-26-27)20(30)22-13-3-2-4-14(9-13)31-18-8-7-17-23-16(11-28(17)25-18)24-19(29)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,22,30)(H,24,29)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432412
PNG
(CHEMBL2349002)
Show SMILES O=C(Nc1cn2nc(Oc3cccc(NC(=O)c4ccncc4)c3)ccc2n1)C1CC1
Show InChI InChI=1S/C22H18N6O3/c29-21(15-8-10-23-11-9-15)24-16-2-1-3-17(12-16)31-20-7-6-19-25-18(13-28(19)27-20)26-22(30)14-4-5-14/h1-3,6-14H,4-5H2,(H,24,29)(H,26,30)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432411
PNG
(CHEMBL2349001)
Show SMILES O=C(Nc1cn2nc(Oc3cccc(NC(=O)c4ccno4)c3)ccc2n1)C1CC1
Show InChI InChI=1S/C20H16N6O4/c27-19(12-4-5-12)24-16-11-26-17(23-16)6-7-18(25-26)29-14-3-1-2-13(10-14)22-20(28)15-8-9-21-30-15/h1-3,6-12H,4-5H2,(H,22,28)(H,24,27)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432400
PNG
(CHEMBL2348990)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2Cl)n(C)n1
Show InChI InChI=1S/C22H20ClN7O3/c1-12-9-17(29(2)27-12)22(32)24-16-10-14(5-6-15(16)23)33-20-8-7-19-25-18(11-30(19)28-20)26-21(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,31)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
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))
BDBM50432398
PNG
(CHEMBL2348996)
Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1
Show InChI InChI=1S/C22H21N7O3/c1-13-10-17(28(2)26-13)22(31)23-15-4-3-5-16(11-15)32-20-9-8-19-24-18(12-29(19)27-20)25-21(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,30)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50432410
PNG
(CHEMBL2349000)
Show SMILES Cc1cc(on1)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
Show InChI InChI=1S/C21H18N6O4/c1-12-9-16(31-26-12)21(29)22-14-3-2-4-15(10-14)30-19-8-7-18-23-17(11-27(18)25-19)24-20(28)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,22,29)(H,24,28)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082390
PNG
(CHEMBL3422964)
Show SMILES COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1OC
Show InChI InChI=1S/C27H31N5O5/c1-34-21-13-19-23(32-25(21)35-2)17(6-12-28-19)5-7-27-10-8-26(9-11-27,16-37-27)29-14-18-3-4-20-24(30-18)31-22(33)15-36-20/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082394
PNG
(CHEMBL3422966)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C#N
Show InChI InChI=1S/C27H28N6O4/c1-35-25-18(13-28)12-20-23(33-25)17(5-11-29-20)4-6-27-9-7-26(8-10-27,16-37-27)30-14-19-2-3-21-24(31-19)32-22(34)15-36-21/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,31,32,34)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082388
PNG
(CHEMBL3422962)
Show SMILES O=C1COc2ccc(CNC34CCC(CCc5c(cnc6ccc(nc56)C#N)C#N)(CC3)OC4)nc2N1
Show InChI InChI=1S/C27H25N7O3/c28-11-17-13-30-21-3-1-18(12-29)32-24(21)20(17)5-6-27-9-7-26(8-10-27,16-37-27)31-14-19-2-4-22-25(33-19)34-23(35)15-36-22/h1-4,13,31H,5-10,14-16H2,(H,33,34,35)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082383
PNG
(CHEMBL3422957)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c(F)cnc2cc1C(F)(F)F
Show InChI InChI=1S/C27H27F4N5O4/c1-38-24-17(27(29,30)31)10-19-22(36-24)16(18(28)12-32-19)4-5-26-8-6-25(7-9-26,14-40-26)33-11-15-2-3-20-23(34-15)35-21(37)13-39-20/h2-3,10,12,33H,4-9,11,13-14H2,1H3,(H,34,35,37)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
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))
BDBM50432398
PNG
(CHEMBL2348996)
Show SMILES Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1
Show InChI InChI=1S/C22H21N7O3/c1-13-10-17(28(2)26-13)22(31)23-15-4-3-5-16(11-15)32-20-9-8-19-24-18(12-29(19)27-20)25-21(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,30)
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 1000 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082427
PNG
(CHEMBL3422968)
Show SMILES COc1cc(OC)c2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H31N5O5/c1-34-20-13-22(35-2)32-23-17(6-12-28-24(20)23)5-7-27-10-8-26(9-11-27,16-37-27)29-14-18-3-4-19-25(30-18)31-21(33)15-36-19/h3-4,6,12-13,29H,5,7-11,14-16H2,1-2H3,(H,30,31,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
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))
BDBM50432404
PNG
(CHEMBL2348994)
Show SMILES Cc1cc(C(=O)Nc2ccc(C)c(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1
Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(24-23(32)17-10-14(2)27-29(17)3)11-18(13)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082430
PNG
(CHEMBL3422971)
Show SMILES COc1cc2nccc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2nc1C#N
Show InChI InChI=1S/C27H28N6O4/c1-35-22-12-19-24(32-20(22)13-28)17(5-11-29-19)4-6-27-9-7-26(8-10-27,16-37-27)30-14-18-2-3-21-25(31-18)33-23(34)15-36-21/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,31,33,34)
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082520
PNG
(CHEMBL3422983)
Show SMILES COc1ccc2ncc(C#N)c(CC(O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H28N6O5/c1-36-23-5-3-19-24(33-23)18(16(11-28)12-29-19)10-21(34)27-8-6-26(7-9-27,15-38-27)30-13-17-2-4-20-25(31-17)32-22(35)14-37-20/h2-5,12,21,30,34H,6-10,13-15H2,1H3,(H,31,32,35)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082432
PNG
(CHEMBL3422973)
Show SMILES Cc1cc(nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc12)C#N
Show InChI InChI=1S/C27H28N6O3/c1-17-12-20(13-28)31-24-18(5-11-29-23(17)24)4-6-27-9-7-26(8-10-27,16-36-27)30-14-19-2-3-21-25(32-19)33-22(34)15-35-21/h2-3,5,11-12,30H,4,6-10,14-16H2,1H3,(H,32,33,34)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082434
PNG
(CHEMBL3422975)
Show SMILES CN(C)c1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1C(F)(F)F
Show InChI InChI=1S/C28H31F3N6O3/c1-37(2)25-19(28(29,30)31)13-20-23(36-25)17(6-12-32-20)5-7-27-10-8-26(9-11-27,16-40-27)33-14-18-3-4-21-24(34-18)35-22(38)15-39-21/h3-4,6,12-13,33H,5,7-11,14-16H2,1-2H3,(H,34,35,38)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082391
PNG
(CHEMBL3422965)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1F
Show InChI InChI=1S/C26H28FN5O4/c1-34-24-18(27)12-19-22(32-24)16(5-11-28-19)4-6-26-9-7-25(8-10-26,15-36-26)29-13-17-2-3-20-23(30-17)31-21(33)14-35-20/h2-3,5,11-12,29H,4,6-10,13-15H2,1H3,(H,30,31,33)
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n/an/a 2.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082520
PNG
(CHEMBL3422983)
Show SMILES COc1ccc2ncc(C#N)c(CC(O)C34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H28N6O5/c1-36-23-5-3-19-24(33-23)18(16(11-28)12-29-19)10-21(34)27-8-6-26(7-9-27,15-38-27)30-13-17-2-4-20-25(31-17)32-22(35)14-37-20/h2-5,12,21,30,34H,6-10,13-15H2,1H3,(H,31,32,35)
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n/an/a 2.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
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))
BDBM50432420
PNG
(CHEMBL2349011)
Show SMILES Fc1cccc(c1)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CCOCC4)cn3n2)c1
Show InChI InChI=1S/C25H22FN5O4/c26-18-4-1-3-17(13-18)25(33)27-19-5-2-6-20(14-19)35-23-8-7-22-28-21(15-31(22)30-23)29-24(32)16-9-11-34-12-10-16/h1-8,13-16H,9-12H2,(H,27,33)(H,29,32)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082381
PNG
(CHEMBL3422953)
Show SMILES COc1cc(C)c2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H30FN5O4/c1-16-11-22(35-2)33-24-18(19(28)13-29-23(16)24)5-6-27-9-7-26(8-10-27,15-37-27)30-12-17-3-4-20-25(31-17)32-21(34)14-36-20/h3-4,11,13,30H,5-10,12,14-15H2,1-2H3,(H,31,32,34)
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50399537
PNG
(CHEMBL2180604)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)n(C)n1
Show InChI InChI=1S/C23H23N7O3/c1-13-4-7-16(11-17(13)24-23(32)18-10-14(2)27-29(18)3)33-21-9-8-20-25-19(12-30(20)28-21)26-22(31)15-5-6-15/h4,7-12,15H,5-6H2,1-3H3,(H,24,32)(H,26,31)
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n/an/a 3.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) by AlphaScreen assay


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082376
PNG
(CHEMBL3422948)
Show SMILES Nc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C25H27FN6O3/c26-17-12-28-18-2-4-20(27)31-22(18)16(17)5-6-25-9-7-24(8-10-25,14-35-25)29-11-15-1-3-19-23(30-15)32-21(33)13-34-19/h1-4,12,29H,5-11,13-14H2,(H2,27,31)(H,30,32,33)
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082387
PNG
(CHEMBL3422961)
Show SMILES Fc1cnc2cc(Cl)cnc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1
Show InChI InChI=1S/C25H25ClFN5O3/c26-15-9-19-22(29-10-15)17(18(27)12-28-19)3-4-25-7-5-24(6-8-25,14-35-25)30-11-16-1-2-20-23(31-16)32-21(33)13-34-20/h1-2,9-10,12,30H,3-8,11,13-14H2,(H,31,32,33)
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n/an/a 3.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
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))
BDBM50432405
PNG
(CHEMBL2349012)
Show SMILES Cn1nc(cc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1)C(F)(F)F
Show InChI InChI=1S/C22H18F3N7O3/c1-31-15(10-16(29-31)22(23,24)25)21(34)26-13-3-2-4-14(9-13)35-19-8-7-18-27-17(11-32(18)30-19)28-20(33)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,26,34)(H,28,33)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using biotinylated poly(Glu:Tyr) as substrate after 5 mins by AlphaScreen assay in presence of 10 uM of ATP


Bioorg Med Chem 21: 2333-45 (2013)


Article DOI: 10.1016/j.bmc.2013.01.074
BindingDB Entry DOI: 10.7270/Q22B90C1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082340
PNG
(CHEMBL3422947)
Show SMILES Fc1cnc2ccc(nc2c1CCC12CCC(CC1)(CO2)NCc1ccc2OCC(=O)Nc2n1)C#N
Show InChI InChI=1S/C26H25FN6O3/c27-19-13-29-20-3-1-16(11-28)31-23(20)18(19)5-6-26-9-7-25(8-10-26,15-36-26)30-12-17-2-4-21-24(32-17)33-22(34)14-35-21/h1-4,13,30H,5-10,12,14-15H2,(H,32,33,34)
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n/an/a 3.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082428
PNG
(CHEMBL3422969)
Show SMILES COc1ccc2nc(OC)cc(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)c2n1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-6-4-19-24(32-22)17(13-23(30-19)35-2)7-8-27-11-9-26(10-12-27,16-37-27)28-14-18-3-5-20-25(29-18)31-21(33)15-36-20/h3-6,13,28H,7-12,14-16H2,1-2H3,(H,29,31,33)
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n/an/a 4.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50082389
PNG
(CHEMBL3422963)
Show SMILES COc1nc2c(CCC34CCC(CC3)(CO4)NCc3ccc4OCC(=O)Nc4n3)ccnc2cc1Cl
Show InChI InChI=1S/C26H28ClN5O4/c1-34-24-18(27)12-19-22(32-24)16(5-11-28-19)4-6-26-9-7-25(8-10-26,15-36-26)29-13-17-2-3-20-23(30-17)31-21(33)14-35-20/h2-3,5,11-12,29H,4,6-10,13-15H2,1H3,(H,30,31,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 2409-15 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.002
BindingDB Entry DOI: 10.7270/Q2CN75MC
More data for this
Ligand-Target Pair
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