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Compile Data Set for Download or QSAR

Found 818 hits with Last Name = 'hirayama' 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
Vascular endothelial growth factor receptor 2


(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


(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)
Cyclin-C


(Homo sapiens (Human))		BDBM50248627
PNG
(CHEMBL4078454)
Show SMILES OC[C@H](Nc1cncc(n1)-c1ccc(O)c(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H16ClN3O2/c19-14-8-13(6-7-17(14)24)15-9-20-10-18(21-15)22-16(11-23)12-4-2-1-3-5-12/h1-10,16,23-24H,11H2,(H,21,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248633
PNG
(CHEMBL4083552)
Show SMILES NC(=O)c1sc(Oc2ccccc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N2O2S2/c17-15(19)14-11-7-6-9-8-18-22-13(9)12(11)16(21-14)20-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,17,19)
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n/an/a 0.340n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248645
PNG
(CHEMBL4061525)
Show SMILES CNc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H14N4O2S2/c1-18-11-5-3-9(7-19-11)22-16-12-10(14(23-16)15(17)21)4-2-8-6-20-24-13(8)12/h3,5-7H,2,4H2,1H3,(H2,17,21)(H,18,19)
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n/an/a 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248623
PNG
(CHEMBL4096487)
Show SMILES OC[C@H](Nc1cncc(c1)-c1ccc2[nH]ncc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C20H18N4O/c25-13-20(14-4-2-1-3-5-14)23-18-9-16(10-21-12-18)15-6-7-19-17(8-15)11-22-24-19/h1-12,20,23,25H,13H2,(H,22,24)/t20-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248614
PNG
(CHEMBL4066819)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C19H18N4O4S2/c1-26-7-6-21-18(25)13-5-3-11(9-22-13)27-19-14-12(16(28-19)17(20)24)4-2-10-8-23-29-15(10)14/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,24)(H,21,25)
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n/an/a 0.460n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248635
PNG
(CHEMBL4070408)
Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C16H13N3O2S2/c1-8-11(3-2-6-18-8)21-16-12-10(14(22-16)15(17)20)5-4-9-7-19-23-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
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n/an/a 0.470n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50241875
PNG
(CHEMBL4091527)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1cn[nH]c1
Show InChI InChI=1S/C22H23N5O2/c28-22(6-3-18-13-23-8-7-21(18)19-14-24-25-15-19)26-20-4-1-17(2-5-20)16-27-9-11-29-12-10-27/h1-8,13-15H,9-12,16H2,(H,24,25)(H,26,28)/b6-3+
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...

Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248633
PNG
(CHEMBL4083552)
Show SMILES NC(=O)c1sc(Oc2ccccc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N2O2S2/c17-15(19)14-11-7-6-9-8-18-22-13(9)12(11)16(21-14)20-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,17,19)
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n/an/a 0.550n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248656
PNG
(CHEMBL4086487)
Show SMILES CC(=O)Nc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C17H14N4O3S2/c1-8(22)21-12-5-3-10(7-19-12)24-17-13-11(15(25-17)16(18)23)4-2-9-6-20-26-14(9)13/h3,5-7H,2,4H2,1H3,(H2,18,23)(H,19,21,22)
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n/an/a 0.570n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248656
PNG
(CHEMBL4086487)
Show SMILES CC(=O)Nc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C17H14N4O3S2/c1-8(22)21-12-5-3-10(7-19-12)24-17-13-11(15(25-17)16(18)23)4-2-9-6-20-26-14(9)13/h3,5-7H,2,4H2,1H3,(H2,18,23)(H,19,21,22)
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n/an/a 0.570n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248645
PNG
(CHEMBL4061525)
Show SMILES CNc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H14N4O2S2/c1-18-11-5-3-9(7-19-11)22-16-12-10(14(23-16)15(17)21)4-2-8-6-20-24-13(8)12/h3,5-7H,2,4H2,1H3,(H2,17,21)(H,18,19)
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n/an/a 0.590n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248640
PNG
(CHEMBL4074204)
Show SMILES NC(=O)c1sc(Oc2ccc(N)nc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H12N4O2S2/c16-10-4-2-8(6-18-10)21-15-11-9(13(22-15)14(17)20)3-1-7-5-19-23-12(7)11/h2,4-6H,1,3H2,(H2,16,18)(H2,17,20)
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n/an/a 0.600n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50444208
PNG
(CHEMBL3093579 | D3RKN_15)
Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H24FN5O4/c1-18-7-12-23(30(39)36(18)21-5-3-2-4-6-21)29(38)32-20-10-13-25(24(31)15-20)40-22-11-14-27-33-26(17-35(27)16-22)34-28(37)19-8-9-19/h2-7,10-17,19H,8-9H2,1H3,(H,32,38)(H,34,37)
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n/an/a 0.610n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 60 mins followed by 1000 uM of ATP addition m...

Bioorg Med Chem 21: 7686-98 (2013)


Article DOI: 10.1016/j.bmc.2013.10.028
BindingDB Entry DOI: 10.7270/Q28W3FRF
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248690
PNG
(CHEMBL4082469)
Show SMILES CSc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C11H10N2OS3/c1-15-11-7-6(9(16-11)10(12)14)3-2-5-4-13-17-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
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n/an/a 0.650n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50444209
PNG
(CHEMBL3093581)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccc2nc(NC(=O)C3CC3)cn2c1
Show InChI InChI=1S/C29H22FN5O4/c30-23-15-19(31-28(37)22-7-4-14-35(29(22)38)20-5-2-1-3-6-20)10-12-24(23)39-21-11-13-26-32-25(17-34(26)16-21)33-27(36)18-8-9-18/h1-7,10-18H,8-9H2,(H,31,37)(H,33,36)
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n/an/a 0.680n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 60 mins followed by 1000 uM of ATP addition m...

Bioorg Med Chem 21: 7686-98 (2013)


Article DOI: 10.1016/j.bmc.2013.10.028
BindingDB Entry DOI: 10.7270/Q28W3FRF
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248635
PNG
(CHEMBL4070408)
Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C16H13N3O2S2/c1-8-11(3-2-6-18-8)21-16-12-10(14(22-16)15(17)20)5-4-9-7-19-23-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
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n/an/a 0.770n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50444210
PNG
(CHEMBL3093582)
Show SMILES Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C29H23FN6O4/c1-17-7-11-21(29(39)36(17)20-5-3-2-4-6-20)28(38)31-19-10-12-23(22(30)15-19)40-26-14-13-25-32-24(16-35(25)34-26)33-27(37)18-8-9-18/h2-7,10-16,18H,8-9H2,1H3,(H,31,38)(H,33,37)
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n/an/a 0.770n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 60 mins followed by 1000 uM of ATP addition m...

Bioorg Med Chem 21: 7686-98 (2013)


Article DOI: 10.1016/j.bmc.2013.10.028
BindingDB Entry DOI: 10.7270/Q28W3FRF
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248611
PNG
(CHEMBL4060856)
Show SMILES NC(=O)c1sc(Oc2ccc(nc2)C(N)=O)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N4O3S2/c17-14(21)10-4-2-8(6-19-10)23-16-11-9(13(24-16)15(18)22)3-1-7-5-20-25-12(7)11/h2,4-6H,1,3H2,(H2,17,21)(H2,18,22)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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


(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
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248611
PNG
(CHEMBL4060856)
Show SMILES NC(=O)c1sc(Oc2ccc(nc2)C(N)=O)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C16H12N4O3S2/c17-14(21)10-4-2-8(6-19-10)23-16-11-9(13(24-16)15(18)22)3-1-7-5-20-25-12(7)11/h2,4-6H,1,3H2,(H2,17,21)(H2,18,22)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50248638
PNG
(CHEMBL4062244)
Show SMILES Cc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H13N3O2S2/c1-8-2-4-10(7-18-8)21-16-12-11(14(22-16)15(17)20)5-3-9-6-19-23-13(9)12/h2,4,6-7H,3,5H2,1H3,(H2,17,20)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248614
PNG
(CHEMBL4066819)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C19H18N4O4S2/c1-26-7-6-21-18(25)13-5-3-11(9-22-13)27-19-14-12(16(28-19)17(20)24)4-2-10-8-23-29-15(10)14/h3,5,8-9H,2,4,6-7H2,1H3,(H2,20,24)(H,21,25)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248612
PNG
(CHEMBL4076395)
Show SMILES CNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C17H14N4O3S2/c1-19-16(23)11-5-3-9(7-20-11)24-17-12-10(14(25-17)15(18)22)4-2-8-6-21-26-13(8)12/h3,5-7H,2,4H2,1H3,(H2,18,22)(H,19,23)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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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
Cyclin-C


(Homo sapiens (Human))		BDBM50248615
PNG
(CHEMBL4077627)
Show SMILES CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C20H20N4O4S2/c1-2-27-8-7-22-19(26)14-6-4-12(10-23-14)28-20-15-13(17(29-20)18(21)25)5-3-11-9-24-30-16(11)15/h4,6,9-10H,2-3,5,7-8H2,1H3,(H2,21,25)(H,22,26)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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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


(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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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


(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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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


(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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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 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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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
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248640
PNG
(CHEMBL4074204)
Show SMILES NC(=O)c1sc(Oc2ccc(N)nc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H12N4O2S2/c16-10-4-2-8(6-18-10)21-15-11-9(13(22-15)14(17)20)3-1-7-5-19-23-12(7)11/h2,4-6H,1,3H2,(H2,16,18)(H2,17,20)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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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
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248638
PNG
(CHEMBL4062244)
Show SMILES Cc1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)cn1
Show InChI InChI=1S/C16H13N3O2S2/c1-8-2-4-10(7-18-8)21-16-12-11(14(22-16)15(17)20)5-3-9-6-19-23-13(9)12/h2,4,6-7H,3,5H2,1H3,(H2,17,20)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248690
PNG
(CHEMBL4082469)
Show SMILES CSc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C11H10N2OS3/c1-15-11-7-6(9(16-11)10(12)14)3-2-5-4-13-17-8(5)7/h4H,2-3H2,1H3,(H2,12,14)
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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


(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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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
Cyclin-C/Cyclin-dependent kinase 19


(Homo sapiens (Human))		BDBM50248686
PNG
(CHEMBL4071040)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1
Show InChI InChI=1S/C20H20N4O4S2/c1-10-14(6-5-13(24-10)19(26)22-7-8-27-2)28-20-15-12(17(29-20)18(21)25)4-3-11-9-23-30-16(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,25)(H,22,26)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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


(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
Cyclin-C


(Homo sapiens (Human))		BDBM50248686
PNG
(CHEMBL4071040)
Show SMILES COCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)c(C)n1
Show InChI InChI=1S/C20H20N4O4S2/c1-10-14(6-5-13(24-10)19(26)22-7-8-27-2)28-20-15-12(17(29-20)18(21)25)4-3-11-9-23-30-16(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H2,21,25)(H,22,26)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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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)
Cyclin-C


(Homo sapiens (Human))		BDBM50248662
PNG
(CHEMBL4091345)
Show SMILES NC(=O)c1sc(Oc2cccnc2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H11N3O2S2/c16-14(19)13-10-4-3-8-6-18-22-12(8)11(10)15(21-13)20-9-2-1-5-17-7-9/h1-2,5-7H,3-4H2,(H2,16,19)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay

Bioorg Med Chem 25: 2336-2350 (2017)


Article DOI: 10.1016/j.bmc.2017.02.038
BindingDB Entry DOI: 10.7270/Q21J9D6H
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533247
PNG
(CHEMBL4470356)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533247
PNG
(CHEMBL4470356)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(c4F)C(F)(F)F)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C29H27F5N4O4S/c1-16-14-17(8-11-20(16)30)26-25(35-22-6-5-7-23(42-4)38(22)26)28(39)37(13-12-36(2)3)21-15-43(40,41)27-18(21)9-10-19(24(27)31)29(32,33)34/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))		BDBM50241879
PNG
(CHEMBL4082587)
Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)\C=C\c1cnccc1-c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C26H25N5O2/c32-26(30-22-5-1-19(2-6-22)17-31-11-13-33-14-12-31)8-4-21-16-27-10-9-23(21)20-3-7-24-25(15-20)29-18-28-24/h1-10,15-16,18H,11-14,17H2,(H,28,29)(H,30,32)/b8-4+
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Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer 236 binding to full length N terminal GST-tagged human CDK8 (1 to 464 end residues) /CycC ( 1 to 283 end residues) expres...

Bioorg Med Chem 25: 3018-3033 (2017)


Article DOI: 10.1016/j.bmc.2017.03.049
BindingDB Entry DOI: 10.7270/Q24X59XW
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))		BDBM50533251
PNG
(CHEMBL4579540)
Show SMILES COc1cccc2nc(C(=O)N(CCN(C)C)[C@@H]3CS(=O)(=O)c4c3ccc(Cl)c4Cl)c(-c3ccc(F)c(C)c3)n12 |r|
Show InChI InChI=1S/C28H27Cl2FN4O4S/c1-16-14-17(8-11-20(16)31)26-25(32-22-6-5-7-23(39-4)35(22)26)28(36)34(13-12-33(2)3)21-15-40(37,38)27-18(21)9-10-19(29)24(27)30/h5-11,14,21H,12-13,15H2,1-4H3/t21-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human CENP-E motor domain assessed as ADP levels preincubated with protein motor domain/microtubule for 60 mins followed by ATP additio...

Bioorg Med Chem Lett 26: 4296-300 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.038
BindingDB Entry DOI: 10.7270/Q28P642T
More data for this
Ligand-Target Pair
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