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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'higaki' and Initial = 'm'   
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
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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12n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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54n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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110n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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140n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human Prostanoid IP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGF-2 from human Prostanoid FP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29,548 from human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29,548 from human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD-2 from human Prostanoid DP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD-2 from human Prostanoid DP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGF-2 from human Prostanoid FP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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>1.90E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD-2 from human Prostanoid DP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50370452
PNG
(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1 |c:15|
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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8.20E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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9.60E+3n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP1 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50167891
PNG
(CHEMBL197319 | {6-[(Diphenylcarbamoyloxy)-methyl]-...)
Show SMILES OC(=O)COc1cccc2CC(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO5/c28-25(29)18-31-24-13-7-8-20-16-19(14-15-23(20)24)17-32-26(30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,19H,14-18H2,(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-PGE-2 from human Prostanoid EP2 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGF-2 from human Prostanoid FP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50167890
PNG
(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP3 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50167892
PNG
(CHEMBL195456 | {(S)-6-[(Diphenylcarbamoyloxy)-meth...)
Show SMILES O[C@@H]1c2cccc(OCC(O)=O)c2CC[C@]1(O)COC(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25NO7/c28-23(29)16-33-22-13-7-12-21-20(22)14-15-26(32,24(21)30)17-34-25(31)27(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,24,30,32H,14-17H2,(H,28,29)/t24-,26+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29,548 from human Prostanoid TP receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50167887
PNG
((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE-2 from human Prostanoid EP4 receptor


Bioorg Med Chem Lett 15: 3091-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.047
BindingDB Entry DOI: 10.7270/Q2SF2WXV
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072905
PNG
(CHEMBL3410078)
Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)
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n/an/a 0.300n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072911
PNG
(CHEMBL3410084)
Show SMILES CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C(F)(F)F
Show InChI InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)
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n/an/a 0.700n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072900
PNG
(CHEMBL3410073)
Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N
Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)
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n/an/a 1.30n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50386816
PNG
(CHEMBL2047943)
Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of human MPS1 expressed in Escherichia coli


J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072900
PNG
(CHEMBL3410073)
Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N
Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)
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n/an/a 2.5n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072905
PNG
(CHEMBL3410078)
Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)
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n/an/a 2.60n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072911
PNG
(CHEMBL3410084)
Show SMILES CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C(F)(F)F
Show InChI InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)
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n/an/a 2.80n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50433907
PNG
(CHEMBL2380582)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26)
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n/an/a 3.10n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA


J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072910
PNG
(CHEMBL3410083)
Show SMILES CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)
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n/an/a 3.20n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072902
PNG
(CHEMBL3410075)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Oc3ccccc3)nn12
Show InChI InChI=1S/C28H29N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h1-9,16,18-19,22,29H,10-15,17H2,(H,31,34)
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n/an/a 3.60n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072904
PNG
(CHEMBL3410077)
Show SMILES Fc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1
Show InChI InChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)
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n/an/a 3.70n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50433906
PNG
(CHEMBL2380583)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1ccc(C)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27)
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n/an/a 3.70n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA


J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072908
PNG
(CHEMBL3410081)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12
Show InChI InChI=1S/C27H34N6O2/c34-27(31-22-9-10-22)20-7-5-19(6-8-20)24-17-29-26-23(28-16-18-11-13-35-14-12-18)15-25(32-33(24)26)30-21-3-1-2-4-21/h5-8,15,17-18,21-22,28H,1-4,9-14,16H2,(H,30,32)(H,31,34)
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n/an/a 4.20n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072899
PNG
(CHEMBL3410072)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(nn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H28N6O2/c30-16-19-1-3-21(4-2-19)25-15-26(31-17-20-11-13-37-14-12-20)28-32-18-27(35(28)34-25)22-5-7-23(8-6-22)29(36)33-24-9-10-24/h1-8,15,18,20,24,31H,9-14,17H2,(H,33,36)
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n/an/a 4.20n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM15913
PNG
(2-pyridinecarboxamide deriv. 8c | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N4O4S/c1-3-25-17-13(9-18)14(19)8-15(21-17)16(22)20-10-11-4-6-12(7-5-11)26(2,23)24/h4-8H,3,10H2,1-2H3,(H2,19,21)(H,20,22)
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n/an/a 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA


ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50072908
PNG
(CHEMBL3410081)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12
Show InChI InChI=1S/C27H34N6O2/c34-27(31-22-9-10-22)20-7-5-19(6-8-20)24-17-29-26-23(28-16-18-11-13-35-14-12-18)15-25(32-33(24)26)30-21-3-1-2-4-21/h5-8,15,17-18,21-22,28H,1-4,9-14,16H2,(H,30,32)(H,31,34)
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n/an/a 5.30n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay


J Med Chem 58: 1760-75 (2015)


Article DOI: 10.1021/jm501599u
BindingDB Entry DOI: 10.7270/Q2FF3V2H
More data for this
Ligand-Target Pair
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