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Compile Data Set for Download or QSAR

Found 414 hits with Last Name = 'tawada' 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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50389606
PNG
(CHEMBL2069625)
Show SMILES Cc1oc(nc1COc1cccc(CO)c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3
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 2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human unphosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mob...

ACS Med Chem Lett 3: 342-346 (2012)


Article DOI: 10.1021/ml3000403
BindingDB Entry DOI: 10.7270/Q2FN1782
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50254020
PNG
(CHEMBL4068446)
Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1nc(cs1)C(O)=O
Show InChI InChI=1S/C25H25N3O2S/c1-14(2)10-21-19(12-26)23(16-6-4-15(3)5-7-16)18-11-17(8-9-20(18)27-21)24-28-22(13-31-24)25(29)30/h4-9,11,13-14H,10,12,26H2,1-3H3,(H,29,30)
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n/an/a 0.380n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins

Bioorg Med Chem Lett 27: 3565-3571 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.048
BindingDB Entry DOI: 10.7270/Q2PK0JKX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195224
PNG
(CHEMBL3916240)
Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r|
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m0../s1
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n/an/a 0.580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
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
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
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50357496
PNG
(CHEMBL1914623)
Show SMILES CN1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H33ClN2O/c1-28-15-10-21-4-5-24(19-23(21)11-16-28)26(30)3-2-14-29-17-12-22(13-18-29)20-6-8-25(27)9-7-20/h4-9,19,22H,2-3,10-18H2,1H3
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n/an/a 0.960n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells

Bioorg Med Chem 19: 6261-73 (2011)


Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50267928
PNG
(CHEMBL4066506)
Show SMILES OCc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6N5OS/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)16-6-5-14(28-29-16)17-27-15(11-32)30-33-17/h1-6,32H,7-11H2
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n/an/a 1.20n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com.

Curated by ChEMBL


Assay Description
Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...

Bioorg Med Chem 25: 3768-3779 (2017)


Article DOI: 10.1016/j.bmc.2017.05.016
BindingDB Entry DOI: 10.7270/Q2Z60RJN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50357495
PNG
(CHEMBL1914630)
Show SMILES Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCNCCc3c2)CC1
Show InChI InChI=1S/C25H31ClN2O/c26-24-7-5-19(6-8-24)21-11-16-28(17-12-21)15-1-2-25(29)23-4-3-20-9-13-27-14-10-22(20)18-23/h3-8,18,21,27H,1-2,9-17H2
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells

Bioorg Med Chem 19: 6261-73 (2011)


Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195228
PNG
(CHEMBL3925242)
Show SMILES Cl.Cl.CC(C)CN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50336806
PNG
(1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-...)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)
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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 human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis

Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50351312
PNG
(CHEMBL1818800)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27ClN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50351322
PNG
(CHEMBL1818810)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C29H30N2O/c1-21-4-7-23(8-5-21)24-10-12-25(13-11-24)29(32)30-28-15-14-26-18-22(6-9-27(26)19-28)20-31-16-2-3-17-31/h4-5,7-8,10-15,18-19H,2-3,6,9,16-17,20H2,1H3,(H,30,32)
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50444212
PNG
(CHEMBL3093583 | D3RKN_14)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1
Show InChI InChI=1S/C28H21FN6O4/c29-21-15-18(30-27(37)20-7-4-14-34(28(20)38)19-5-2-1-3-6-19)10-11-22(21)39-25-13-12-24-31-23(16-35(24)33-25)32-26(36)17-8-9-17/h1-7,10-17H,8-9H2,(H,30,37)(H,32,36)
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n/an/a 1.70n/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 5 mins followed by 2 uM of ATP addition measu...

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
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 1.70n/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 5 mins followed by 2 uM of ATP addition measu...

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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50351308
PNG
(CHEMBL1818795)
Show SMILES CN(C)CC1=Cc2ccc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 |t:4|
Show InChI InChI=1S/C26H25ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-16H,3-4,17H2,1-2H3,(H,28,30)
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50349380
PNG
(CHEMBL1808468)
Show SMILES CC(C)Cc1nc2ccc(\C=C\C(N)=O)cc2c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C24H27N3O/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(26)28)6-10-21(19)27-22/h4-11,13,15H,12,14,25H2,1-3H3,(H2,26,28)/b11-7+
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis

Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
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 1.90n/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 5 mins followed by 2 uM of ATP addition measu...

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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50351324
PNG
(CHEMBL1818901)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
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 1.90n/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 5 mins followed by 2 uM of ATP addition measu...

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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50351313
PNG
(CHEMBL1818801)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C29H29ClN2O/c30-27-13-10-23(11-14-27)22-6-8-24(9-7-22)29(33)31-28-15-12-25-18-21(4-5-26(25)19-28)20-32-16-2-1-3-17-32/h6-15,18-19H,1-5,16-17,20H2,(H,31,33)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))		BDBM50195233
PNG
(CHEMBL3897200)
Show SMILES Cl.Cl.CCCCN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-5-6-12-28(17-9-7-11-24-14-17)21(29)19-16-26-22(23(2,3)4)27-20(19)25-15-18-10-8-13-30-18;;/h8,10,13,16-17,24H,5-7,9,11-12,14-15H2,1-4H3,(H,25,26,27);2*1H
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50253979
PNG
(CHEMBL4068477)
Show SMILES Cl.Cl.CC(C)Cc1ncc(-c2nc(cs2)C(N)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C21H24N4OS/c1-12(2)8-17-15(9-22)19(14-6-4-13(3)5-7-14)16(10-24-17)21-25-18(11-27-21)20(23)26/h4-7,10-12H,8-9,22H2,1-3H3,(H2,23,26)
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins

Bioorg Med Chem Lett 27: 3565-3571 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.048
BindingDB Entry DOI: 10.7270/Q2PK0JKX
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50351323
PNG
(CHEMBL1818811)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:23|
Show InChI InChI=1S/C29H30N2O2/c1-33-28-14-11-23(12-15-28)22-6-8-24(9-7-22)29(32)30-27-13-10-25-18-21(4-5-26(25)19-27)20-31-16-2-3-17-31/h6-15,18-19H,2-5,16-17,20H2,1H3,(H,30,32)
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50349384
PNG
(CHEMBL1808473)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CCNC(=O)C1
Show InChI InChI=1S/C25H30N4O/c1-16(2)12-23-21(14-26)25(18-6-4-17(3)5-7-18)20-13-19(8-9-22(20)28-23)29-11-10-27-24(30)15-29/h4-9,13,16H,10-12,14-15,26H2,1-3H3,(H,27,30)
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis

Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50351312
PNG
(CHEMBL1818800)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27ClN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50444213
PNG
(CHEMBL3093585)
Show SMILES Cn1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H22FN7O4/c1-33-14-19(27(38)35(33)18-5-3-2-4-6-18)26(37)29-17-9-10-21(20(28)13-17)39-24-12-11-23-30-22(15-34(23)32-24)31-25(36)16-7-8-16/h2-6,9-16H,7-8H2,1H3,(H,29,37)(H,31,36)
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n/an/a 2.30n/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 5 mins followed by 2 uM of ATP addition measu...

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
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50267930
PNG
(CHEMBL4104190)
Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6N5O2/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)16-6-5-14(28-29-16)17-27-15(11-32)30-33-17/h1-6,32H,7-11H2
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n/an/a 2.30n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com.

Curated by ChEMBL


Assay Description
Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...

Bioorg Med Chem 25: 3768-3779 (2017)


Article DOI: 10.1016/j.bmc.2017.05.016
BindingDB Entry DOI: 10.7270/Q2Z60RJN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50351322
PNG
(CHEMBL1818810)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C29H30N2O/c1-21-4-7-23(8-5-21)24-10-12-25(13-11-24)29(32)30-28-15-14-26-18-22(6-9-27(26)19-28)20-31-16-2-3-17-31/h4-5,7-8,10-15,18-19H,2-3,6,9,16-17,20H2,1H3,(H,30,32)
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50267945
PNG
(CHEMBL4094042)
Show SMILES OCc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)(c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6N5OS/c21-19(22,23)13-3-1-12(2-4-13)18(20(24,25)26)7-9-31(10-8-18)15-6-5-14(27-28-15)17-30-29-16(11-32)33-17/h1-6,32H,7-11H2
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n/an/a 2.5n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com.

Curated by ChEMBL


Assay Description
Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...

Bioorg Med Chem 25: 3768-3779 (2017)


Article DOI: 10.1016/j.bmc.2017.05.016
BindingDB Entry DOI: 10.7270/Q2Z60RJN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50351313
PNG
(CHEMBL1818801)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C29H29ClN2O/c30-27-13-10-23(11-14-27)22-6-8-24(9-7-22)29(33)31-28-15-12-25-18-21(4-5-26(25)19-28)20-32-16-2-1-3-17-32/h6-15,18-19H,1-5,16-17,20H2,(H,31,33)
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n/an/a 2.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50254019
PNG
(CHEMBL4098218)
Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(CCc2nc(cs2)C(O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C24H29N3O2S/c1-14(2)11-20-19(12-25)23(17-7-5-15(3)6-8-17)18(16(4)26-20)9-10-22-27-21(13-30-22)24(28)29/h5-8,13-14H,9-12,25H2,1-4H3,(H,28,29)
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n/an/a 2.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins

Bioorg Med Chem Lett 27: 3565-3571 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.048
BindingDB Entry DOI: 10.7270/Q2PK0JKX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50349385
PNG
(CHEMBL1808474)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CCNC(=O)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)12-22-20(14-26)23(17-6-4-16(3)5-7-17)19-13-18(8-9-21(19)28-22)29-11-10-27-24(30)25(29)31/h4-9,13,15H,10-12,14,26H2,1-3H3,(H,27,30)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis

Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50351308
PNG
(CHEMBL1818795)
Show SMILES CN(C)CC1=Cc2ccc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 |t:4|
Show InChI InChI=1S/C26H25ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-16H,3-4,17H2,1-2H3,(H,28,30)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50357502
PNG
(CHEMBL1914631)
Show SMILES CCC(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35ClN2O2/c1-2-28(33)31-18-13-22-5-6-25(20-24(22)14-19-31)27(32)4-3-15-30-16-11-23(12-17-30)21-7-9-26(29)10-8-21/h5-10,20,23H,2-4,11-19H2,1H3
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n/an/a 2.80n/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-stimulated arachidonic acid release

Bioorg Med Chem 19: 6261-73 (2011)


Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50351314
PNG
(CHEMBL1818802)
Show SMILES CN1CCN(CC2=Cc3ccc(NC(=O)c4ccc(cc4)-c4ccc(Cl)cc4)cc3CC2)CC1 |t:6|
Show InChI InChI=1S/C29H30ClN3O/c1-32-14-16-33(17-15-32)20-21-2-3-26-19-28(13-10-25(26)18-21)31-29(34)24-6-4-22(5-7-24)23-8-11-27(30)12-9-23/h4-13,18-19H,2-3,14-17,20H2,1H3,(H,31,34)
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n/an/a 2.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50452856
PNG
(CHEMBL4217811)
Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-[#8]-c2c1)-[#6](=O)-c1cc(-[#8])no1)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r|
Show InChI InChI=1S/C24H25F2N3O6Si/c1-33-14-5-6-15-18(11-14)34-8-7-29(24(32)19-12-20(30)28-35-19)21(15)23(31)27-13-9-16(25)22(17(26)10-13)36(2,3)4/h5-6,9-12,21H,7-8H2,1-4H3,(H,27,31)(H,28,30)/t21-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay

Bioorg Med Chem 26: 470-482 (2018)


Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50452853
PNG
(CHEMBL4087736)
Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r|
Show InChI InChI=1S/C25H30F2N2O5Si/c1-34-17-8-9-18-15(12-17)10-11-29(21(30)6-5-7-22(31)32)23(18)25(33)28-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H,28,33)(H,31,32)/t23-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay

Bioorg Med Chem 26: 470-482 (2018)


Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50452850
PNG
(CHEMBL4203255)
Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r|
Show InChI InChI=1S/C25H31F2N3O4Si/c1-34-17-8-9-18-15(12-17)10-11-30(22(32)7-5-6-21(28)31)23(18)25(33)29-16-13-19(26)24(20(27)14-16)35(2,3)4/h8-9,12-14,23H,5-7,10-11H2,1-4H3,(H2,28,31)(H,29,33)/t23-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay

Bioorg Med Chem 26: 470-482 (2018)


Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50444214
PNG
(CHEMBL3093587)
Show SMILES Cn1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)cc2)c(=O)n1-c1ccccc1
Show InChI InChI=1S/C27H23N7O4/c1-32-15-21(27(37)34(32)19-5-3-2-4-6-19)26(36)28-18-9-11-20(12-10-18)38-24-14-13-23-29-22(16-33(23)31-24)30-25(35)17-7-8-17/h2-6,9-17H,7-8H2,1H3,(H,28,36)(H,30,35)
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n/an/a 3.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 2 uM of ATP addition measu...

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
Renin


(Homo sapiens (Human))		BDBM50195227
PNG
(CHEMBL3986004)
Show SMILES Cl.Cl.CC(C)CN([C@@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r|
Show InChI InChI=1S/C23H35N5O2.2ClH/c1-16(2)15-28(17-8-6-10-24-12-17)21(29)19-14-26-22(23(3,4)5)27-20(19)25-13-18-9-7-11-30-18;;/h7,9,11,14,16-17,24H,6,8,10,12-13,15H2,1-5H3,(H,25,26,27);2*1H/t17-;;/m1../s1
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n/an/a 3.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...

Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50452854
PNG
(CHEMBL4205112)
Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r|
Show InChI InChI=1S/C24H28F2N2O6Si/c1-33-16-5-6-17-14(9-16)7-8-28(20(29)12-34-13-21(30)31)22(17)24(32)27-15-10-18(25)23(19(26)11-15)35(2,3)4/h5-6,9-11,22H,7-8,12-13H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay

Bioorg Med Chem 26: 470-482 (2018)


Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50351323
PNG
(CHEMBL1818811)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:23|
Show InChI InChI=1S/C29H30N2O2/c1-33-28-14-11-23(12-15-28)22-6-8-24(9-7-22)29(32)30-27-13-10-25-18-21(4-5-26(25)19-27)20-31-16-2-3-17-31/h6-15,18-19H,2-5,16-17,20H2,1H3,(H,30,32)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50452843
PNG
(CHEMBL4217478)
Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6](-[#6])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r|
Show InChI InChI=1S/C26H32F2N2O5Si/c1-15(11-23(32)33)10-22(31)30-9-8-16-12-18(35-2)6-7-19(16)24(30)26(34)29-17-13-20(27)25(21(28)14-17)36(3,4)5/h6-7,12-15,24H,8-11H2,1-5H3,(H,29,34)(H,32,33)/t15?,24-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay

Bioorg Med Chem 26: 470-482 (2018)


Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))		BDBM50357504
PNG
(CHEMBL1914633)
Show SMILES Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCN(CCc3c2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C29H35ClN2O2/c30-27-9-7-21(8-10-27)23-11-16-31(17-12-23)15-1-2-28(33)26-6-3-22-13-18-32(19-14-25(22)20-26)29(34)24-4-5-24/h3,6-10,20,23-24H,1-2,4-5,11-19H2
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n/an/a 3.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH(4-19) from human MCHR1 expressed in CHO cells

Bioorg Med Chem 19: 6261-73 (2011)


Article DOI: 10.1016/j.bmc.2011.09.007
BindingDB Entry DOI: 10.7270/Q26T0N2H
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50444212
PNG
(CHEMBL3093583 | D3RKN_14)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1
Show InChI InChI=1S/C28H21FN6O4/c29-21-15-18(30-27(37)20-7-4-14-34(28(20)38)19-5-2-1-3-6-19)10-11-22(21)39-25-13-12-24-31-23(16-35(24)33-25)32-26(36)17-8-9-17/h1-7,10-17H,8-9H2,(H,30,37)(H,32,36)
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n/an/a 4n/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
Melanin-concentrating hormone receptor 1


(RAT)		BDBM50351324
PNG
(CHEMBL1818901)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc2C=C(CN3CCCC3)CCc2c1 |t:22|
Show InChI InChI=1S/C28H27FN2O/c29-26-12-9-22(10-13-26)21-5-7-23(8-6-21)28(32)30-27-14-11-24-17-20(3-4-25(24)18-27)19-31-15-1-2-16-31/h5-14,17-18H,1-4,15-16,19H2,(H,30,32)
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50452840
PNG
(CHEMBL4209940)
Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)\[#6]=[#6]\[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r|
Show InChI InChI=1S/C24H26F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-8,11-13,22H,9-10H2,1-4H3,(H,27,32)(H,30,31)/b8-7+/t22-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay

Bioorg Med Chem 26: 470-482 (2018)


Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50349376
PNG
(CHEMBL1808464)
Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C23H27N3O2/c1-14(2)10-21-19(12-24)23(16-6-4-15(3)5-7-16)18-11-17(28-13-22(25)27)8-9-20(18)26-21/h4-9,11,14H,10,12-13,24H2,1-3H3,(H2,25,27)
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n/an/a 4.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis

Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50452846
PNG
(CHEMBL4205579)
Show SMILES [#6]-[#8]-c1ccc2-[#6@@H](-[#7](-[#6]-[#6]-c2c1)-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(F)c(c(F)c1)[Si;v4]([#6])([#6])[#6] |r|
Show InChI InChI=1S/C24H28F2N2O5Si/c1-33-16-5-6-17-14(11-16)9-10-28(20(29)7-8-21(30)31)22(17)24(32)27-15-12-18(25)23(19(26)13-15)34(2,3)4/h5-6,11-13,22H,7-10H2,1-4H3,(H,27,32)(H,30,31)/t22-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of BODIPY-labeled ligand from human His-tagged RORgammat after 20 mins by TR-FRET assay

Bioorg Med Chem 26: 470-482 (2018)


Article DOI: 10.1016/j.bmc.2017.12.008
BindingDB Entry DOI: 10.7270/Q2GQ71BR
More data for this
Ligand-Target Pair
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