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Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'aida' and Initial = 'j'   
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
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 0.0400n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
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n/an/a 0.0640n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 1.10n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A/B


(Homo sapiens (Human))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 1.5n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora B/Incenp


(Homo sapiens (Human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
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n/an/a 1.5n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B/INCENP (unknown origin) using biotinylated STK2 substrate incubated for 30 mins by HTRF assay


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198027
PNG
(CHEMBL3921246)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24-
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n/an/a 1.70n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198027
PNG
(CHEMBL3921246)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C24H21N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-14H,3H2,1-2H3,(H,31,32)(H,25,26,28)/b19-12-,27-24-
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n/an/a 2n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149456
PNG
(CHEMBL3769702)
Show SMILES Cc1c(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cn12)C1CC1
Show InChI InChI=1S/C20H18F3N3O3/c1-12-19(13-2-3-13)25-17-9-4-14(10-26(12)17)24-18(27)11-28-15-5-7-16(8-6-15)29-20(21,22)23/h4-10,13H,2-3,11H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149457
PNG
(CHEMBL3771335)
Show SMILES Cc1nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cn2c1C
Show InChI InChI=1S/C18H16F3N3O3/c1-11-12(2)24-9-13(3-8-16(24)22-11)23-17(25)10-26-14-4-6-15(7-5-14)27-18(19,20)21/h3-9H,10H2,1-2H3,(H,23,25)
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n/an/a 3.80n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198081
PNG
(CHEMBL3915550)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCC(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C22H22N4O4S/c1-3-14-4-6-16(7-5-14)24-22-26(2)21(30)17(31-22)12-15-10-11-23-18(13-15)25-19(27)8-9-20(28)29/h4-7,10-13H,3,8-9H2,1-2H3,(H,28,29)(H,23,25,27)/b17-12-,24-22-
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n/an/a 4n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198080
PNG
(CHEMBL3932394)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CC(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C21H20N4O4S/c1-3-13-4-6-15(7-5-13)23-21-25(2)20(29)16(30-21)10-14-8-9-22-17(11-14)24-18(26)12-19(27)28/h4-11H,3,12H2,1-2H3,(H,27,28)(H,22,24,26)/b16-10-,23-21-
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n/an/a 6n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198082
PNG
(CHEMBL3904239)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C25H22N4O3S/c1-3-16-4-8-20(9-5-16)28-25-29(2)23(30)21(33-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)24(31)32/h4-15H,3H2,1-2H3,(H,26,27)(H,31,32)/b21-14-,28-25-
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n/an/a 6.20n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198086
PNG
(CHEMBL3985313)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(NC(=O)CCCC(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C23H24N4O4S/c1-3-15-7-9-17(10-8-15)25-23-27(2)22(31)18(32-23)13-16-11-12-24-19(14-16)26-20(28)5-4-6-21(29)30/h7-14H,3-6H2,1-2H3,(H,29,30)(H,24,26,28)/b18-13-,25-23-
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n/an/a 6.20n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149456
PNG
(CHEMBL3769702)
Show SMILES Cc1c(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cn12)C1CC1
Show InChI InChI=1S/C20H18F3N3O3/c1-12-19(13-2-3-13)25-17-9-4-14(10-26(12)17)24-18(27)11-28-15-5-7-16(8-6-15)29-20(21,22)23/h4-10,13H,2-3,11H2,1H3,(H,24,27)
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n/an/a 6.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50277545
PNG
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
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n/an/a 6.70n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149444
PNG
(CHEMBL3770706)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc2oc(cc2c1=O)-c1ccc(Cl)cc1)C1CC1
Show InChI InChI=1S/C24H18ClN3O2/c1-14-23(16-2-3-16)26-22-9-8-18(13-28(14)22)27-11-10-20-19(24(27)29)12-21(30-20)15-4-6-17(25)7-5-15/h4-13,16H,2-3H2,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149462
PNG
(CHEMBL3771182)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2csc(Cl)c2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-13-21(15-2-3-15)23-19-5-4-16(10-25(13)19)24-7-6-17(9-20(24)26)27-11-14-8-18(22)28-12-14/h4-10,12,15H,2-3,11H2,1H3
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n/an/a 7.5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149462
PNG
(CHEMBL3771182)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2csc(Cl)c2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-13-21(15-2-3-15)23-19-5-4-16(10-25(13)19)24-7-6-17(9-20(24)26)27-11-14-8-18(22)28-12-14/h4-10,12,15H,2-3,11H2,1H3
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n/an/a 7.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149457
PNG
(CHEMBL3771335)
Show SMILES Cc1nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cn2c1C
Show InChI InChI=1S/C18H16F3N3O3/c1-11-12(2)24-9-13(3-8-16(24)22-11)23-17(25)10-26-14-4-6-15(7-5-14)27-18(19,20)21/h3-9H,10H2,1-2H3,(H,23,25)
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n/an/a 7.80n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149443
PNG
(CHEMBL3771307)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Br)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20BrN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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n/an/a 9.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163480
PNG
(CHEMBL3792707)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2csc(Cl)c2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-24-18-9-15(4-5-17(18)23-21(24)14-2-3-14)25-7-6-16(10-20(25)26)27-11-13-8-19(22)28-12-13/h4-10,12,14H,2-3,11H2,1H3
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n/an/a 9.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Aurora kinase A/B


(Homo sapiens (Human))
BDBM50175305
PNG
(CHEMBL3600873)
Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-
PDB

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n/an/a>10n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora B kinase in human HeLa Kyoto cells assessed as effect on distribution of phspho-histone H3 ser10 level incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163476
PNG
(CHEMBL3792516)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)s2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-24-18-10-14(4-6-17(18)23-21(24)13-2-3-13)25-9-8-15(11-20(25)26)27-12-16-5-7-19(22)28-16/h4-11,13H,2-3,12H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149444
PNG
(CHEMBL3770706)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc2oc(cc2c1=O)-c1ccc(Cl)cc1)C1CC1
Show InChI InChI=1S/C24H18ClN3O2/c1-14-23(16-2-3-16)26-22-9-8-18(13-28(14)22)27-11-10-20-19(24(27)29)12-21(30-20)15-4-6-17(25)7-5-15/h4-13,16H,2-3H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149443
PNG
(CHEMBL3771307)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Br)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20BrN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163481
PNG
(CHEMBL3794306)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(s2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-27-18-10-14(4-6-17(18)26-21(27)13-2-3-13)28-9-8-15(11-20(28)29)30-12-16-5-7-19(31-16)22(23,24)25/h4-11,13H,2-3,12H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163480
PNG
(CHEMBL3792707)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2csc(Cl)c2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-24-18-9-15(4-5-17(18)23-21(24)14-2-3-14)25-7-6-16(10-20(25)26)27-11-13-8-19(22)28-12-13/h4-10,12,14H,2-3,11H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149461
PNG
(CHEMBL3769762)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-21(15-2-3-15)26-19-5-4-16(10-28(13)19)27-7-6-17(9-20(27)29)30-11-14-8-18(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163481
PNG
(CHEMBL3794306)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(s2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-27-18-10-14(4-6-17(18)26-21(27)13-2-3-13)28-9-8-15(11-20(28)29)30-12-16-5-7-19(31-16)22(23,24)25/h4-11,13H,2-3,12H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163467
PNG
(CHEMBL3792697)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2cc(cs2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-27-19-9-15(4-5-18(19)26-21(27)13-2-3-13)28-7-6-16(10-20(28)29)30-11-17-8-14(12-31-17)22(23,24)25/h4-10,12-13H,2-3,11H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149461
PNG
(CHEMBL3769762)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-21(15-2-3-15)26-19-5-4-16(10-28(13)19)27-7-6-17(9-20(27)29)30-11-14-8-18(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163478
PNG
(CHEMBL3794345)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2cc(Cl)cs2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-24-19-9-15(4-5-18(19)23-21(24)13-2-3-13)25-7-6-16(10-20(25)26)27-11-17-8-14(22)12-28-17/h4-10,12-13H,2-3,11H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163481
PNG
(CHEMBL3794306)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(s2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-27-18-10-14(4-6-17(18)26-21(27)13-2-3-13)28-9-8-15(11-20(28)29)30-12-16-5-7-19(31-16)22(23,24)25/h4-11,13H,2-3,12H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as change in MCH(4 to 19)-stimulated Ca2+ concentration by Ca2+ mobilization assay


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163478
PNG
(CHEMBL3794345)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2cc(Cl)cs2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-24-19-9-15(4-5-18(19)23-21(24)13-2-3-13)25-7-6-16(10-20(25)26)27-11-17-8-14(22)12-28-17/h4-10,12-13H,2-3,11H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163476
PNG
(CHEMBL3792516)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)s2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-24-18-10-14(4-6-17(18)23-21(24)13-2-3-13)25-9-8-15(11-20(25)26)27-12-16-5-7-19(22)28-16/h4-11,13H,2-3,12H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149462
PNG
(CHEMBL3771182)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2csc(Cl)c2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-13-21(15-2-3-15)23-19-5-4-16(10-25(13)19)24-7-6-17(9-20(24)26)27-11-14-8-18(22)28-12-14/h4-10,12,15H,2-3,11H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH (4 to 19 residues)-stimulated intracellular calcium mobilizat...


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149458
PNG
(CHEMBL3770396)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cn2)cc1=O)C1CC1
Show InChI InChI=1S/C22H19ClN4O2/c1-14-22(15-2-3-15)25-20-7-6-18(12-27(14)20)26-9-8-19(10-21(26)28)29-13-17-5-4-16(23)11-24-17/h4-12,15H,2-3,13H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to 19 residues) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163490
PNG
(CHEMBL3793944)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-26-21-12-18(8-9-20(21)25-23(26)16-4-5-16)27-11-10-19(13-22(27)28)29-14-15-2-6-17(24)7-3-15/h2-3,6-13,16H,4-5,14H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH (4 to 19 residues)-stimulated intracellular calcium mobilizat...


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163507
PNG
(CHEMBL3794256)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-21-12-19(8-9-22(21)25-27(15)18-6-7-18)26-11-10-20(13-23(26)28)29-14-16-2-4-17(24)5-3-16/h2-5,8-13,18H,6-7,14H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149458
PNG
(CHEMBL3770396)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cn2)cc1=O)C1CC1
Show InChI InChI=1S/C22H19ClN4O2/c1-14-22(15-2-3-15)25-20-7-6-18(12-27(14)20)26-9-8-19(10-21(26)28)29-13-17-5-4-16(23)11-24-17/h4-12,15H,2-3,13H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198052
PNG
(CHEMBL3896597)
Show SMILES CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C24H23N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-11,13-14,19H,3,12H2,1-2H3,(H,31,32)(H,25,26,28)/b27-24-
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n/an/a 24n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50163476
PNG
(CHEMBL3792516)
Show SMILES Cn1c(nc2ccc(cc12)-n1ccc(OCc2ccc(Cl)s2)cc1=O)C1CC1
Show InChI InChI=1S/C21H18ClN3O2S/c1-24-18-10-14(4-6-17(18)23-21(24)13-2-3-13)25-9-8-15(11-20(25)26)27-12-16-5-7-19(22)28-16/h4-11,13H,2-3,12H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as change in MCH(4 to 19)-stimulated Ca2+ concentration by Ca2+ mobilization assay


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198052
PNG
(CHEMBL3896597)
Show SMILES CCc1ccc(cc1)\N=C1/SC(Cc2ccnc(Nc3ccc(cn3)C(O)=O)c2)C(=O)N1C
Show InChI InChI=1S/C24H23N5O3S/c1-3-15-4-7-18(8-5-15)27-24-29(2)22(30)19(33-24)12-16-10-11-25-21(13-16)28-20-9-6-17(14-26-20)23(31)32/h4-11,13-14,19H,3,12H2,1-2H3,(H,31,32)(H,25,26,28)/b27-24-
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n/an/a 24n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase autophosphorylation at Thr288 in human HeLa Kyoto cells incubated for 20 hrs


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149463
PNG
(CHEMBL3769582)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccsc2)cc1=O)C1CC1
Show InChI InChI=1S/C21H19N3O2S/c1-14-21(16-2-3-16)22-19-5-4-17(11-24(14)19)23-8-6-18(10-20(23)25)26-12-15-7-9-27-13-15/h4-11,13,16H,2-3,12H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (human))
BDBM50198044
PNG
(CHEMBL3903187)
Show SMILES CCc1ccc(cc1)\N=C1/S\C(=C/c2ccnc(Nc3ccc(cc3)-c3nnn[nH]3)c2)C(=O)N1C
Show InChI InChI=1S/C25H22N8OS/c1-3-16-4-8-20(9-5-16)28-25-33(2)24(34)21(35-25)14-17-12-13-26-22(15-17)27-19-10-6-18(7-11-19)23-29-31-32-30-23/h4-15H,3H2,1-2H3,(H,26,27)(H,29,30,31,32)/b21-14-,28-25-
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n/an/a 25n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2486-503 (2016)


Article DOI: 10.1016/j.bmc.2016.04.011
BindingDB Entry DOI: 10.7270/Q2862JB1
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50149453
PNG
(CHEMBL3770359)
Show SMILES Cc1c(nc2ccc(cn12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O)C1CC1
Show InChI InChI=1S/C23H20ClN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH (4 to19 residues) from human MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 59: 1116-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01704
BindingDB Entry DOI: 10.7270/Q2V40X2T
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50163509
PNG
(CHEMBL3578244)
Show SMILES Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
Show InChI InChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4 to 19) from rat MCHR1 expressed in CHO cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 2504-18 (2016)


Article DOI: 10.1016/j.bmc.2016.04.013
BindingDB Entry DOI: 10.7270/Q2SX6G4X
More data for this
Ligand-Target Pair
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