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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 2'   
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
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238691
PNG
(CHEMBL4088263)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H83N17O10/c1-34(2)29-41(71-53(82)44(32-37-19-10-5-11-20-37)73-51(80)42(67-47(76)24-25-58)30-35-15-6-3-7-16-35)50(79)72-43(31-36-17-8-4-9-18-36)52(81)69-39(22-13-27-66-57(63)64)55(84)74-28-14-23-45(74)54(83)68-38(21-12-26-65-56(61)62)49(78)70-40(48(60)77)33-46(59)75/h3-11,15-20,34,38-45H,12-14,21-33,58H2,1-2H3,(H2,59,75)(H2,60,77)(H,67,76)(H,68,83)(H,69,81)(H,70,78)(H,71,82)(H,72,79)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.0290n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238701
PNG
(CHEMBL4061507)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H96N18O11/c1-4-5-14-38(49(80)70-40(16-10-23-66-57(62)63)55(86)75-26-11-17-45(75)54(85)69-39(15-9-22-65-56(60)61)50(81)71-41(48(59)79)32-46(58)77)68-51(82)42(29-34(2)3)72-53(84)44(30-35-12-7-6-8-13-35)73-52(83)43(31-36-18-20-37(76)21-19-36)67-47(78)33-74-27-24-64-25-28-74/h18-21,34-35,38-45,64,76H,4-17,22-33H2,1-3H3,(H2,58,77)(H2,59,79)(H,67,78)(H,68,82)(H,69,85)(H,70,80)(H,71,81)(H,72,84)(H,73,83)(H4,60,61,65)(H4,62,63,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.0340n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238689
PNG
(CHEMBL4073946)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C55H81N17O11/c1-31(2)26-40(70-53(83)43(28-34-14-8-5-9-15-34)72-51(81)41(66-45(75)22-23-56)29-35-18-20-36(73)21-19-35)50(80)71-42(27-33-12-6-4-7-13-33)52(82)68-37(16-10-24-63-54(59)60)48(78)65-32(3)47(77)67-38(17-11-25-64-55(61)62)49(79)69-39(46(58)76)30-44(57)74/h4-9,12-15,18-21,31-32,37-43,73H,10-11,16-17,22-30,56H2,1-3H3,(H2,57,74)(H2,58,76)(H,65,78)(H,66,75)(H,67,77)(H,68,82)(H,69,79)(H,70,83)(H,71,80)(H,72,81)(H4,59,60,63)(H4,61,62,64)/t32-,37-,38-,39-,40-,41-,42-,43-/s2
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n/an/an/an/a 0.0520n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238690
PNG
(CHEMBL4068681)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C60H88N18O11/c1-36(2)30-44(74-56(87)47(32-38-14-7-4-8-15-38)76-54(85)45(33-39-19-21-40(79)22-20-39)70-50(81)35-77-28-25-67-26-29-77)53(84)75-46(31-37-12-5-3-6-13-37)55(86)72-42(17-10-24-69-60(65)66)58(89)78-27-11-18-48(78)57(88)71-41(16-9-23-68-59(63)64)52(83)73-43(51(62)82)34-49(61)80/h3-8,12-15,19-22,36,41-48,67,79H,9-11,16-18,23-35H2,1-2H3,(H2,61,80)(H2,62,82)(H,70,81)(H,71,88)(H,72,86)(H,73,83)(H,74,87)(H,75,84)(H,76,85)(H4,63,64,68)(H4,65,66,69)/t41-,42-,43-,44-,45-,46-,47-,48-/s2
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n/an/an/an/a 0.0560n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238703
PNG
(CHEMBL4081760)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C63H90N18O11/c1-37(2)30-48(77-60(91)51(34-41-18-21-42-14-8-9-15-43(42)31-41)79-58(89)49(33-40-19-22-44(82)23-20-40)73-53(84)36-81-28-26-70-27-29-81)57(88)78-50(32-39-12-6-5-7-13-39)59(90)75-46(17-11-25-72-63(68)69)61(92)80(4)38(3)55(86)74-45(16-10-24-71-62(66)67)56(87)76-47(54(65)85)35-52(64)83/h5-9,12-15,18-23,31,37-38,45-51,70,82H,10-11,16-17,24-30,32-36H2,1-4H3,(H2,64,83)(H2,65,85)(H,73,84)(H,74,86)(H,75,90)(H,76,87)(H,77,91)(H,78,88)(H,79,89)(H4,66,67,71)(H4,68,69,72)/t38-,45-,46-,47-,48-,49-,50-,51-/s2
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n/an/an/an/a 0.0750n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238704
PNG
(CHEMBL4095998)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H83N17O11/c1-33(2)28-41(71-53(83)44(30-35-14-7-4-8-15-35)73-51(81)42(67-47(77)23-24-58)31-36-19-21-37(75)22-20-36)50(80)72-43(29-34-12-5-3-6-13-34)52(82)69-39(17-10-26-66-57(63)64)55(85)74-27-11-18-45(74)54(84)68-38(16-9-25-65-56(61)62)49(79)70-40(48(60)78)32-46(59)76/h3-8,12-15,19-22,33,38-45,75H,9-11,16-18,23-32,58H2,1-2H3,(H2,59,76)(H2,60,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.0850n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238694
PNG
(CHEMBL4098010)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H81N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3-8,12-15,19-22,32,37-43,46,74H,9-11,16-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/s2
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n/an/an/an/a 0.0880n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50262099
PNG
(CHEMBL4074121)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1/C64H89N17O12/c1-38(2)31-47(76-59(89)50(35-41-18-21-42-13-6-7-14-43(42)32-41)78-57(87)48(34-40-19-22-44(82)23-20-40)73-54(84)37-80-29-26-70-27-30-80)56(86)77-49(33-39-11-4-3-5-12-39)58(88)75-46(16-9-25-72-64(68)69)61(91)81-28-10-17-52(81)60(90)74-45(15-8-24-71-63(66)67)55(85)79-51(62(92)93)36-53(65)83/h3-7,11-14,18-23,32,38,45-52,70,82H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,83)(H,73,84)(H,74,90)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,85)(H,92,93)(H4,66,67,71)(H4,68,69,72)/t45-,46-,47-,48-,49-,50-,51-,52-/s2
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n/an/an/an/a 0.110n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI...


Bioorg Med Chem Lett 27: 4626-4629 (2017)

More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238699
PNG
(CHEMBL4063341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C64H90N18O11/c1-38(2)31-48(78-60(91)51(35-41-18-21-42-13-6-7-14-43(42)32-41)80-58(89)49(34-40-19-22-44(83)23-20-40)74-54(85)37-81-29-26-71-27-30-81)57(88)79-50(33-39-11-4-3-5-12-39)59(90)76-46(16-9-25-73-64(69)70)62(93)82-28-10-17-52(82)61(92)75-45(15-8-24-72-63(67)68)56(87)77-47(55(66)86)36-53(65)84/h3-7,11-14,18-23,32,38,45-52,71,83H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,84)(H2,66,86)(H,74,85)(H,75,92)(H,76,90)(H,77,87)(H,78,91)(H,79,88)(H,80,89)(H4,67,68,72)(H4,69,70,73)/t45-,46-,47-,48-,49-,50-,51-,52-/s2
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n/an/an/an/a 0.110n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238694
PNG
(CHEMBL4098010)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H81N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3-8,12-15,19-22,32,37-43,46,74H,9-11,16-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/s2
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n/an/an/an/a 0.150n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238703
PNG
(CHEMBL4081760)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C63H90N18O11/c1-37(2)30-48(77-60(91)51(34-41-18-21-42-14-8-9-15-43(42)31-41)79-58(89)49(33-40-19-22-44(82)23-20-40)73-53(84)36-81-28-26-70-27-29-81)57(88)78-50(32-39-12-6-5-7-13-39)59(90)75-46(17-11-25-72-63(68)69)61(92)80(4)38(3)55(86)74-45(16-10-24-71-62(66)67)56(87)76-47(54(65)85)35-52(64)83/h5-9,12-15,18-23,31,37-38,45-51,70,82H,10-11,16-17,24-30,32-36H2,1-4H3,(H2,64,83)(H2,65,85)(H,73,84)(H,74,86)(H,75,90)(H,76,87)(H,77,91)(H,78,88)(H,79,89)(H4,66,67,71)(H4,68,69,72)/t38-,45-,46-,47-,48-,49-,50-,51-/s2
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n/an/an/an/a 0.160n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238695
PNG
(CHEMBL4079986)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C54H85N17O11/c1-4-5-14-35(65-48(78)39(27-31(2)3)69-50(80)41(28-32-12-7-6-8-13-32)70-49(79)40(64-44(74)22-23-55)29-33-18-20-34(72)21-19-33)46(76)67-37(16-10-25-63-54(60)61)52(82)71-26-11-17-42(71)51(81)66-36(15-9-24-62-53(58)59)47(77)68-38(45(57)75)30-43(56)73/h6-8,12-13,18-21,31,35-42,72H,4-5,9-11,14-17,22-30,55H2,1-3H3,(H2,56,73)(H2,57,75)(H,64,74)(H,65,78)(H,66,81)(H,67,76)(H,68,77)(H,69,80)(H,70,79)(H4,58,59,62)(H4,60,61,63)/t35-,36-,37-,38-,39-,40-,41-,42-/s2
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n/an/an/an/a 0.170n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50049425
PNG
(CHEMBL3356083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/s2
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n/an/an/an/a 0.180n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238699
PNG
(CHEMBL4063341)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C64H90N18O11/c1-38(2)31-48(78-60(91)51(35-41-18-21-42-13-6-7-14-43(42)32-41)80-58(89)49(34-40-19-22-44(83)23-20-40)74-54(85)37-81-29-26-71-27-30-81)57(88)79-50(33-39-11-4-3-5-12-39)59(90)76-46(16-9-25-73-64(69)70)62(93)82-28-10-17-52(82)61(92)75-45(15-8-24-72-63(67)68)56(87)77-47(55(66)86)36-53(65)84/h3-7,11-14,18-23,32,38,45-52,71,83H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,84)(H2,66,86)(H,74,85)(H,75,92)(H,76,90)(H,77,87)(H,78,91)(H,79,88)(H,80,89)(H4,67,68,72)(H4,69,70,73)/t45-,46-,47-,48-,49-,50-,51-,52-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50262099
PNG
(CHEMBL4074121)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1/C64H89N17O12/c1-38(2)31-47(76-59(89)50(35-41-18-21-42-13-6-7-14-43(42)32-41)78-57(87)48(34-40-19-22-44(82)23-20-40)73-54(84)37-80-29-26-70-27-30-80)56(86)77-49(33-39-11-4-3-5-12-39)58(88)75-46(16-9-25-72-64(68)69)61(91)81-28-10-17-52(81)60(90)74-45(15-8-24-71-63(66)67)55(85)79-51(62(92)93)36-53(65)83/h3-7,11-14,18-23,32,38,45-52,70,82H,8-10,15-17,24-31,33-37H2,1-2H3,(H2,65,83)(H,73,84)(H,74,90)(H,75,88)(H,76,89)(H,77,86)(H,78,87)(H,79,85)(H,92,93)(H4,66,67,71)(H4,68,69,72)/t45-,46-,47-,48-,49-,50-,51-,52-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI...


Bioorg Med Chem Lett 27: 4626-4629 (2017)

More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238693
PNG
(CHEMBL4063830)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H89N17O11/c1-33(2)28-41(71-53(83)44(30-35-14-7-4-8-15-35)73-51(81)42(67-47(77)23-24-58)31-36-19-21-37(75)22-20-36)50(80)72-43(29-34-12-5-3-6-13-34)52(82)69-39(17-10-26-66-57(63)64)55(85)74-27-11-18-45(74)54(84)68-38(16-9-25-65-56(61)62)49(79)70-40(48(60)78)32-46(59)76/h3,5-6,12-13,19-22,33,35,38-45,75H,4,7-11,14-18,23-32,58H2,1-2H3,(H2,59,76)(H2,60,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.210n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238690
PNG
(CHEMBL4068681)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C60H88N18O11/c1-36(2)30-44(74-56(87)47(32-38-14-7-4-8-15-38)76-54(85)45(33-39-19-21-40(79)22-20-39)70-50(81)35-77-28-25-67-26-29-77)53(84)75-46(31-37-12-5-3-6-13-37)55(86)72-42(17-10-24-69-60(65)66)58(89)78-27-11-18-48(78)57(88)71-41(16-9-23-68-59(63)64)52(83)73-43(51(62)82)34-49(61)80/h3-8,12-15,19-22,36,41-48,67,79H,9-11,16-18,23-35H2,1-2H3,(H2,61,80)(H2,62,82)(H,70,81)(H,71,88)(H,72,86)(H,73,83)(H,74,87)(H,75,84)(H,76,85)(H4,63,64,68)(H4,65,66,69)/t41-,42-,43-,44-,45-,46-,47-,48-/s2
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n/an/an/an/a 0.220n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238691
PNG
(CHEMBL4088263)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H83N17O10/c1-34(2)29-41(71-53(82)44(32-37-19-10-5-11-20-37)73-51(80)42(67-47(76)24-25-58)30-35-15-6-3-7-16-35)50(79)72-43(31-36-17-8-4-9-18-36)52(81)69-39(22-13-27-66-57(63)64)55(84)74-28-14-23-45(74)54(83)68-38(21-12-26-65-56(61)62)49(78)70-40(48(60)77)33-46(59)75/h3-11,15-20,34,38-45H,12-14,21-33,58H2,1-2H3,(H2,59,75)(H2,60,77)(H,67,76)(H,68,83)(H,69,81)(H,70,78)(H,71,82)(H,72,79)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.280n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238707
PNG
(CHEMBL4059530)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H82N18O11/c1-32(2)27-40(71-52(83)42(28-33-9-4-3-5-10-33)73-50(81)41(67-46(77)18-21-57)29-34-14-16-36(75)17-15-34)49(80)72-43(30-35-19-24-64-25-20-35)51(82)69-38(12-7-23-66-56(62)63)54(85)74-26-8-13-44(74)53(84)68-37(11-6-22-65-55(60)61)48(79)70-39(47(59)78)31-45(58)76/h3-5,9-10,14-17,19-20,24-25,32,37-44,75H,6-8,11-13,18,21-23,26-31,57H2,1-2H3,(H2,58,76)(H2,59,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,60,61,65)(H4,62,63,66)/t37-,38-,39-,40-,41-,42-,43-,44-/s2
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n/an/an/an/a 0.310n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238697
PNG
(CHEMBL4090300)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C66H94N18O12/c1-38(2)32-50(80-62(94)53(36-42-22-25-43-16-7-8-17-44(43)33-42)83-61(93)52(35-41-23-26-45(86)27-24-41)81-57(89)46(76-39(3)85)18-9-10-28-67)59(91)82-51(34-40-14-5-4-6-15-40)60(92)78-48(20-12-30-75-66(72)73)64(96)84-31-13-21-54(84)63(95)77-47(19-11-29-74-65(70)71)58(90)79-49(56(69)88)37-55(68)87/h4-8,14-17,22-27,33,38,46-54,86H,9-13,18-21,28-32,34-37,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,76,85)(H,77,95)(H,78,92)(H,79,90)(H,80,94)(H,81,89)(H,82,91)(H,83,93)(H4,70,71,74)(H4,72,73,75)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/s2
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n/an/an/an/a 0.330n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238701
PNG
(CHEMBL4061507)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H96N18O11/c1-4-5-14-38(49(80)70-40(16-10-23-66-57(62)63)55(86)75-26-11-17-45(75)54(85)69-39(15-9-22-65-56(60)61)50(81)71-41(48(59)79)32-46(58)77)68-51(82)42(29-34(2)3)72-53(84)44(30-35-12-7-6-8-13-35)73-52(83)43(31-36-18-20-37(76)21-19-36)67-47(78)33-74-27-24-64-25-28-74/h18-21,34-35,38-45,64,76H,4-17,22-33H2,1-3H3,(H2,58,77)(H2,59,79)(H,67,78)(H,68,82)(H,69,85)(H,70,80)(H,71,81)(H,72,84)(H,73,83)(H4,60,61,65)(H4,62,63,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.340n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238707
PNG
(CHEMBL4059530)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H82N18O11/c1-32(2)27-40(71-52(83)42(28-33-9-4-3-5-10-33)73-50(81)41(67-46(77)18-21-57)29-34-14-16-36(75)17-15-34)49(80)72-43(30-35-19-24-64-25-20-35)51(82)69-38(12-7-23-66-56(62)63)54(85)74-26-8-13-44(74)53(84)68-37(11-6-22-65-55(60)61)48(79)70-39(47(59)78)31-45(58)76/h3-5,9-10,14-17,19-20,24-25,32,37-44,75H,6-8,11-13,18,21-23,26-31,57H2,1-2H3,(H2,58,76)(H2,59,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,60,61,65)(H4,62,63,66)/t37-,38-,39-,40-,41-,42-,43-,44-/s2
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n/an/an/an/a 0.360n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238710
PNG
(CHEMBL4091611)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C61H85N17O11/c1-35(2)29-45(75-57(87)48(33-38-18-21-39-13-6-7-14-40(39)30-38)77-55(85)46(71-51(81)24-25-62)32-37-19-22-41(79)23-20-37)54(84)76-47(31-36-11-4-3-5-12-36)56(86)73-43(16-9-27-70-61(67)68)59(89)78-28-10-17-49(78)58(88)72-42(15-8-26-69-60(65)66)53(83)74-44(52(64)82)34-50(63)80/h3-7,11-14,18-23,30,35,42-49,79H,8-10,15-17,24-29,31-34,62H2,1-2H3,(H2,63,80)(H2,64,82)(H,71,81)(H,72,88)(H,73,86)(H,74,83)(H,75,87)(H,76,84)(H,77,85)(H4,65,66,69)(H4,67,68,70)/t42-,43-,44-,45-,46-,47-,48-,49-/s2
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n/an/an/an/a 0.370n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238696
PNG
(CHEMBL4087867)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H79N15O12/c1-32(2)27-40(68-53(81)43(29-34-13-7-4-8-14-34)70-51(79)41(64-47(75)23-24-57)30-35-17-19-36(72)20-18-35)50(78)69-42(28-33-11-5-3-6-12-33)52(80)66-38(21-22-45(58)73)55(83)71-26-10-16-44(71)54(82)65-37(15-9-25-63-56(61)62)49(77)67-39(48(60)76)31-46(59)74/h3-8,11-14,17-20,32,37-44,72H,9-10,15-16,21-31,57H2,1-2H3,(H2,58,73)(H2,59,74)(H2,60,76)(H,64,75)(H,65,82)(H,66,80)(H,67,77)(H,68,81)(H,69,78)(H,70,79)(H4,61,62,63)/t37-,38-,39-,40-,41-,42-,43-,44-/s2
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n/an/an/an/a 0.390n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50049425
PNG
(CHEMBL3356083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/s2
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n/an/an/an/a 0.400n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238712
PNG
(CHEMBL4100718)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C71H106N18O16/c1-44(2)36-55(65(97)87-57(38-46-14-6-5-7-15-46)67(99)84-53(19-11-28-81-71(77)78)69(101)89(4)45(3)63(95)83-52(18-10-27-80-70(75)76)64(96)85-54(62(74)94)41-59(73)91)86-68(100)58(40-48-20-23-49-16-8-9-17-50(49)37-48)88-66(98)56(39-47-21-24-51(90)25-22-47)82-61(93)43-105-42-60(92)79-29-13-31-103-33-35-104-34-32-102-30-12-26-72/h5-9,14-17,20-25,37,44-45,52-58,90H,10-13,18-19,26-36,38-43,72H2,1-4H3,(H2,73,91)(H2,74,94)(H,79,92)(H,82,93)(H,83,95)(H,84,99)(H,85,96)(H,86,100)(H,87,97)(H,88,98)(H4,75,76,80)(H4,77,78,81)/t45-,52-,53-,54-,55-,56-,57-,58-/s2
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n/an/an/an/a 0.400n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238689
PNG
(CHEMBL4073946)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C55H81N17O11/c1-31(2)26-40(70-53(83)43(28-34-14-8-5-9-15-34)72-51(81)41(66-45(75)22-23-56)29-35-18-20-36(73)21-19-35)50(80)71-42(27-33-12-6-4-7-13-33)52(82)68-37(16-10-24-63-54(59)60)48(78)65-32(3)47(77)67-38(17-11-25-64-55(61)62)49(79)69-39(46(58)76)30-44(57)74/h4-9,12-15,18-21,31-32,37-43,73H,10-11,16-17,22-30,56H2,1-3H3,(H2,57,74)(H2,58,76)(H,65,78)(H,66,75)(H,67,77)(H,68,82)(H,69,79)(H,70,83)(H,71,80)(H,72,81)(H4,59,60,63)(H4,61,62,64)/t32-,37-,38-,39-,40-,41-,42-,43-/s2
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n/an/an/an/a 0.410n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238697
PNG
(CHEMBL4090300)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C66H94N18O12/c1-38(2)32-50(80-62(94)53(36-42-22-25-43-16-7-8-17-44(43)33-42)83-61(93)52(35-41-23-26-45(86)27-24-41)81-57(89)46(76-39(3)85)18-9-10-28-67)59(91)82-51(34-40-14-5-4-6-15-40)60(92)78-48(20-12-30-75-66(72)73)64(96)84-31-13-21-54(84)63(95)77-47(19-11-29-74-65(70)71)58(90)79-49(56(69)88)37-55(68)87/h4-8,14-17,22-27,33,38,46-54,86H,9-13,18-21,28-32,34-37,67H2,1-3H3,(H2,68,87)(H2,69,88)(H,76,85)(H,77,95)(H,78,92)(H,79,90)(H,80,94)(H,81,89)(H,82,91)(H,83,93)(H4,70,71,74)(H4,72,73,75)/t46-,47-,48-,49-,50-,51-,52-,53-,54-/s2
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n/an/an/an/a 0.420n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50049425
PNG
(CHEMBL3356083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/s2
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n/an/an/an/a 0.430n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI...


Bioorg Med Chem Lett 27: 4626-4629 (2017)

More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50049425
PNG
(CHEMBL3356083)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/s2
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n/an/an/an/a 0.430n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI...


Bioorg Med Chem Lett 27: 4626-4629 (2017)

More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238695
PNG
(CHEMBL4079986)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C54H85N17O11/c1-4-5-14-35(65-48(78)39(27-31(2)3)69-50(80)41(28-32-12-7-6-8-13-32)70-49(79)40(64-44(74)22-23-55)29-33-18-20-34(72)21-19-33)46(76)67-37(16-10-25-63-54(60)61)52(82)71-26-11-17-42(71)51(81)66-36(15-9-24-62-53(58)59)47(77)68-38(45(57)75)30-43(56)73/h6-8,12-13,18-21,31,35-42,72H,4-5,9-11,14-17,22-30,55H2,1-3H3,(H2,56,73)(H2,57,75)(H,64,74)(H,65,78)(H,66,81)(H,67,76)(H,68,77)(H,69,80)(H,70,79)(H4,58,59,62)(H4,60,61,63)/t35-,36-,37-,38-,39-,40-,41-,42-/s2
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n/an/an/an/a 0.430n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238693
PNG
(CHEMBL4063830)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H89N17O11/c1-33(2)28-41(71-53(83)44(30-35-14-7-4-8-15-35)73-51(81)42(67-47(77)23-24-58)31-36-19-21-37(75)22-20-36)50(80)72-43(29-34-12-5-3-6-13-34)52(82)69-39(17-10-26-66-57(63)64)55(85)74-27-11-18-45(74)54(84)68-38(16-9-25-65-56(61)62)49(79)70-40(48(60)78)32-46(59)76/h3,5-6,12-13,19-22,33,35,38-45,75H,4,7-11,14-18,23-32,58H2,1-2H3,(H2,59,76)(H2,60,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.470n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238696
PNG
(CHEMBL4087867)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H79N15O12/c1-32(2)27-40(68-53(81)43(29-34-13-7-4-8-14-34)70-51(79)41(64-47(75)23-24-57)30-35-17-19-36(72)20-18-35)50(78)69-42(28-33-11-5-3-6-12-33)52(80)66-38(21-22-45(58)73)55(83)71-26-10-16-44(71)54(82)65-37(15-9-25-63-56(61)62)49(77)67-39(48(60)76)31-46(59)74/h3-8,11-14,17-20,32,37-44,72H,9-10,15-16,21-31,57H2,1-2H3,(H2,58,73)(H2,59,74)(H2,60,76)(H,64,75)(H,65,82)(H,66,80)(H,67,77)(H,68,81)(H,69,78)(H,70,79)(H4,61,62,63)/t37-,38-,39-,40-,41-,42-,43-,44-/s2
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n/an/an/an/a 0.480n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238710
PNG
(CHEMBL4091611)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C61H85N17O11/c1-35(2)29-45(75-57(87)48(33-38-18-21-39-13-6-7-14-40(39)30-38)77-55(85)46(71-51(81)24-25-62)32-37-19-22-41(79)23-20-37)54(84)76-47(31-36-11-4-3-5-12-36)56(86)73-43(16-9-27-70-61(67)68)59(89)78-28-10-17-49(78)58(88)72-42(15-8-26-69-60(65)66)53(83)74-44(52(64)82)34-50(63)80/h3-7,11-14,18-23,30,35,42-49,79H,8-10,15-17,24-29,31-34,62H2,1-2H3,(H2,63,80)(H2,64,82)(H,71,81)(H,72,88)(H,73,86)(H,74,83)(H,75,87)(H,76,84)(H,77,85)(H4,65,66,69)(H4,67,68,70)/t42-,43-,44-,45-,46-,47-,48-,49-/s2
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n/an/an/an/a 0.5n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238700
PNG
(CHEMBL4089636)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H87N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3,5-6,12-13,19-22,32,34,37-43,46,74H,4,7-11,14-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/s2
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n/an/an/an/a 0.520n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238711
PNG
(CHEMBL4097355)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H88N18O11/c1-32(2)27-40(71-52(83)42(28-33-9-4-3-5-10-33)73-50(81)41(67-46(77)18-21-57)29-34-14-16-36(75)17-15-34)49(80)72-43(30-35-19-24-64-25-20-35)51(82)69-38(12-7-23-66-56(62)63)54(85)74-26-8-13-44(74)53(84)68-37(11-6-22-65-55(60)61)48(79)70-39(47(59)78)31-45(58)76/h14-17,19-20,24-25,32-33,37-44,75H,3-13,18,21-23,26-31,57H2,1-2H3,(H2,58,76)(H2,59,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,60,61,65)(H4,62,63,66)/t37-,38-,39-,40-,41-,42-,43-,44-/s2
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n/an/an/an/a 0.570n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238700
PNG
(CHEMBL4089636)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H87N17O11/c1-32(2)46(72-51(81)42(29-34-14-7-4-8-15-34)70-49(79)40(66-45(76)23-24-57)30-35-19-21-36(74)22-20-35)53(83)71-41(28-33-12-5-3-6-13-33)50(80)68-38(17-10-26-65-56(62)63)54(84)73-27-11-18-43(73)52(82)67-37(16-9-25-64-55(60)61)48(78)69-39(47(59)77)31-44(58)75/h3,5-6,12-13,19-22,32,34,37-43,46,74H,4,7-11,14-18,23-31,57H2,1-2H3,(H2,58,75)(H2,59,77)(H,66,76)(H,67,82)(H,68,80)(H,69,78)(H,70,79)(H,71,83)(H,72,81)(H4,60,61,64)(H4,62,63,65)/t37-,38-,39-,40-,41-,42-,43-,46-/s2
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n/an/an/an/a 0.580n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238706
PNG
(CHEMBL4099780)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C63H91N17O11/c1-37(2)31-48(77-60(90)51(35-41-22-25-42-17-10-11-18-43(42)32-41)79-58(88)49(34-40-23-26-44(81)27-24-40)73-53(83)21-9-6-12-28-64)57(87)78-50(33-39-15-7-5-8-16-39)59(89)75-46(20-14-30-72-63(69)70)61(91)80(4)38(3)55(85)74-45(19-13-29-71-62(67)68)56(86)76-47(54(66)84)36-52(65)82/h5,7-8,10-11,15-18,22-27,32,37-38,45-51,81H,6,9,12-14,19-21,28-31,33-36,64H2,1-4H3,(H2,65,82)(H2,66,84)(H,73,83)(H,74,85)(H,75,89)(H,76,86)(H,77,90)(H,78,87)(H,79,88)(H4,67,68,71)(H4,69,70,72)/t38-,45-,46-,47-,48-,49-,50-,51-/s2
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n/an/an/an/a 0.680n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238704
PNG
(CHEMBL4095998)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C57H83N17O11/c1-33(2)28-41(71-53(83)44(30-35-14-7-4-8-15-35)73-51(81)42(67-47(77)23-24-58)31-36-19-21-37(75)22-20-36)50(80)72-43(29-34-12-5-3-6-13-34)52(82)69-39(17-10-26-66-57(63)64)55(85)74-27-11-18-45(74)54(84)68-38(16-9-25-65-56(61)62)49(79)70-40(48(60)78)32-46(59)76/h3-8,12-15,19-22,33,38-45,75H,9-11,16-18,23-32,58H2,1-2H3,(H2,59,76)(H2,60,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,61,62,65)(H4,63,64,66)/t38-,39-,40-,41-,42-,43-,44-,45-/s2
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n/an/an/an/a 0.690n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238712
PNG
(CHEMBL4100718)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCC(=O)NCCCOCCOCCOCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C71H106N18O16/c1-44(2)36-55(65(97)87-57(38-46-14-6-5-7-15-46)67(99)84-53(19-11-28-81-71(77)78)69(101)89(4)45(3)63(95)83-52(18-10-27-80-70(75)76)64(96)85-54(62(74)94)41-59(73)91)86-68(100)58(40-48-20-23-49-16-8-9-17-50(49)37-48)88-66(98)56(39-47-21-24-51(90)25-22-47)82-61(93)43-105-42-60(92)79-29-13-31-103-33-35-104-34-32-102-30-12-26-72/h5-9,14-17,20-25,37,44-45,52-58,90H,10-13,18-19,26-36,38-43,72H2,1-4H3,(H2,73,91)(H2,74,94)(H,79,92)(H,82,93)(H,83,95)(H,84,99)(H,85,96)(H,86,100)(H,87,97)(H,88,98)(H4,75,76,80)(H4,77,78,81)/t45-,52-,53-,54-,55-,56-,57-,58-/s2
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n/an/an/an/a 0.740n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50262112
PNG
(CHEMBL4092080)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O
Show InChI InChI=1/C97H167N19O22/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-25-37-82(119)107-63-69-38-42-70(43-39-69)86(123)112-75(94(131)132)46-47-83(120)103-50-29-53-135-55-57-137-58-56-136-54-30-51-104-84(121)64-138-65-85(122)108-77(61-68-40-44-71(117)45-41-68)90(127)114-78(60-67-31-23-22-24-32-67)91(128)113-76(59-66(3)4)89(126)109-72(33-9-7-2)87(124)111-74(35-27-48-105-96(99)100)93(130)116-52-28-36-80(116)92(129)110-73(34-26-49-106-97(101)102-5)88(125)115-79(95(133)134)62-81(98)118/h40-41,44-45,66-67,69-70,72-80,117H,6-39,42-43,46-65H2,1-5H3,(H2,98,118)(H,103,120)(H,104,121)(H,107,119)(H,108,122)(H,109,126)(H,110,129)(H,111,124)(H,112,123)(H,113,128)(H,114,127)(H,115,125)(H,131,132)(H,133,134)(H4,99,100,105)(H3,101,102,106)/t69-,70-,72?,73-,74-,75-,76-,77-,78?,79-,80-/s2
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n/an/an/an/a 0.75n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI...


Bioorg Med Chem Lett 27: 4626-4629 (2017)

More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50262098
PNG
(CHEMBL4061906)
Show SMILES CCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O
Show InChI InChI=1/C96H159N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-24-36-80(118)106-62-68-37-41-69(42-38-68)84(122)111-74(91(129)130)45-46-81(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-82(120)63-137-64-83(121)107-76(59-66-39-43-70(116)44-40-66)88(126)114-96(5,61-67-30-22-21-23-31-67)93(133)113-75(58-65(3)4)87(125)108-71(32-10-8-2)85(123)110-73(34-26-47-104-94(98)99)90(128)115-51-27-35-78(115)89(127)109-72(33-25-48-105-95(100)101-6)86(124)112-77(92(131)132)60-79(97)117/h21-23,30-31,39-40,43-44,65,68-69,71-78,116H,7-20,24-29,32-38,41-42,45-64H2,1-6H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,127)(H,110,123)(H,111,122)(H,112,124)(H,113,133)(H,114,126)(H,129,130)(H,131,132)(H4,98,99,104)(H3,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77-,78-,96?/s2
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n/an/an/an/a 0.800n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI...


Bioorg Med Chem Lett 27: 4626-4629 (2017)

More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238706
PNG
(CHEMBL4099780)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C63H91N17O11/c1-37(2)31-48(77-60(90)51(35-41-22-25-42-17-10-11-18-43(42)32-41)79-58(88)49(34-40-23-26-44(81)27-24-40)73-53(83)21-9-6-12-28-64)57(87)78-50(33-39-15-7-5-8-16-39)59(89)75-46(20-14-30-72-63(69)70)61(91)80(4)38(3)55(85)74-45(19-13-29-71-62(67)68)56(86)76-47(54(66)84)36-52(65)82/h5,7-8,10-11,15-18,22-27,32,37-38,45-51,81H,6,9,12-14,19-21,28-31,33-36,64H2,1-4H3,(H2,65,82)(H2,66,84)(H,73,83)(H,74,85)(H,75,89)(H,76,86)(H,77,90)(H,78,87)(H,79,88)(H4,67,68,71)(H4,69,70,72)/t38-,45-,46-,47-,48-,49-,50-,51-/s2
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n/an/an/an/a 0.820n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238713
PNG
(CHEMBL4070175)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C60H84N18O11/c1-34(2)28-44(75-56(87)47(32-37-13-16-38-8-3-4-9-39(38)29-37)77-54(85)45(71-50(81)19-22-61)30-35-14-17-40(79)18-15-35)53(84)76-46(31-36-20-25-68-26-21-36)55(86)73-42(11-6-24-70-60(66)67)58(89)78-27-7-12-48(78)57(88)72-41(10-5-23-69-59(64)65)52(83)74-43(51(63)82)33-49(62)80/h3-4,8-9,13-18,20-21,25-26,29,34,41-48,79H,5-7,10-12,19,22-24,27-28,30-33,61H2,1-2H3,(H2,62,80)(H2,63,82)(H,71,81)(H,72,88)(H,73,86)(H,74,83)(H,75,87)(H,76,84)(H,77,85)(H4,64,65,69)(H4,66,67,70)/t41-,42-,43-,44-,45-,46-,47-,48-/s2
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n/an/an/an/a 0.830n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50262111
PNG
(CHEMBL4081819)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](CCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)C(O)=O
Show InChI InChI=1/C96H165N19O22/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-36-81(118)106-62-68-37-41-69(42-38-68)85(122)111-74(93(130)131)45-46-82(119)102-49-28-52-134-54-56-136-57-55-135-53-29-50-103-83(120)63-137-64-84(121)107-76(60-67-39-43-70(116)44-40-67)89(126)113-77(59-66-30-22-21-23-31-66)90(127)112-75(58-65(3)4)88(125)108-71(32-8-6-2)86(123)110-73(34-26-48-105-96(100)101)92(129)115-51-27-35-79(115)91(128)109-72(33-25-47-104-95(98)99)87(124)114-78(94(132)133)61-80(97)117/h39-40,43-44,65-66,68-69,71-79,116H,5-38,41-42,45-64H2,1-4H3,(H2,97,117)(H,102,119)(H,103,120)(H,106,118)(H,107,121)(H,108,125)(H,109,128)(H,110,123)(H,111,122)(H,112,127)(H,113,126)(H,114,124)(H,130,131)(H,132,133)(H4,98,99,104)(H4,100,101,105)/t68-,69-,71?,72-,73-,74-,75-,76-,77?,78-,79-/s2
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n/an/an/an/a 0.880n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as increase in intracellular calcium influx after 180 secs by Fluo 4-AM dye based FLI...


Bioorg Med Chem Lett 27: 4626-4629 (2017)

More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50049421
PNG
(CHEMBL3315349)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C141H203N41O38/c1-74(2)61-94(125(208)173-98(65-80-33-17-9-18-34-80)128(211)169-92(40-24-58-158-141(153)154)136(219)181-59-25-41-104(181)133(216)168-86(38-22-56-156-139(149)150)118(201)170-93(114(146)197)68-108(145)189)171-129(212)99(66-81-35-19-10-20-36-81)174-126(209)95(67-82-43-45-83(186)46-44-82)161-109(190)70-159-117(200)85(37-21-55-155-138(147)148)163-132(215)102(72-184)178-121(204)88(47-51-106(143)187)167-131(214)101(71-183)177-115(198)76(5)160-124(207)96(63-78-29-13-7-14-30-78)175-134(217)105-42-26-60-182(105)137(220)103(73-185)179-122(205)89(48-52-107(144)188)165-127(210)97(64-79-31-15-8-16-32-79)172-120(203)91(50-54-111(193)194)164-119(202)90(49-53-110(191)192)166-130(213)100(69-112(195)196)176-135(218)113(75(3)4)180-123(206)87(39-23-57-157-140(151)152)162-116(199)84(142)62-77-27-11-6-12-28-77/h6-20,27-36,43-46,74-76,84-105,113,183-186H,21-26,37-42,47-73,142H2,1-5H3,(H2,143,187)(H2,144,188)(H2,145,189)(H2,146,197)(H,159,200)(H,160,207)(H,161,190)(H,162,199)(H,163,215)(H,164,202)(H,165,210)(H,166,213)(H,167,214)(H,168,216)(H,169,211)(H,170,201)(H,171,212)(H,172,203)(H,173,208)(H,174,209)(H,175,217)(H,176,218)(H,177,198)(H,178,204)(H,179,205)(H,180,206)(H,191,192)(H,193,194)(H,195,196)(H4,147,148,155)(H4,149,150,156)(H4,151,152,157)(H4,153,154,158)/t76-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-/s2
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n/an/an/an/a 0.920n/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as intracellular calcium flux at by Fluo-4 AM dye based fluorometric imaging method


ACS Med Chem Lett 6: 302-7 (2015)


Article DOI: 10.1021/ml500494j
BindingDB Entry DOI: 10.7270/Q2TM7CVP
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238709
PNG
(CHEMBL4092033)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C55H86N18O13/c1-31(2)26-40(70-49(82)37(18-19-45(77)78)67-51(84)41(28-34-14-16-35(74)17-15-34)65-44(76)30-73-24-22-62-23-25-73)50(83)71-42(27-33-10-6-5-7-11-33)52(85)68-38(13-9-21-64-55(60)61)53(86)72(4)32(3)47(80)66-36(12-8-20-63-54(58)59)48(81)69-39(46(57)79)29-43(56)75/h5-7,10-11,14-17,31-32,36-42,62,74H,8-9,12-13,18-30H2,1-4H3,(H2,56,75)(H2,57,79)(H,65,76)(H,66,80)(H,67,84)(H,68,85)(H,69,81)(H,70,82)(H,71,83)(H,77,78)(H4,58,59,63)(H4,60,61,64)/t32-,36-,37-,38-,39-,40-,41-,42-/s2
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n/an/an/an/a 0.930n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238702
PNG
(CHEMBL4071218)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C60H81N15O12/c1-34(2)28-44(72-57(85)47(32-37-16-19-38-12-6-7-13-39(38)29-37)74-55(83)45(68-51(79)24-25-61)31-36-17-20-40(76)21-18-36)54(82)73-46(30-35-10-4-3-5-11-35)56(84)70-42(22-23-49(62)77)59(87)75-27-9-15-48(75)58(86)69-41(14-8-26-67-60(65)66)53(81)71-43(52(64)80)33-50(63)78/h3-7,10-13,16-21,29,34,41-48,76H,8-9,14-15,22-28,30-33,61H2,1-2H3,(H2,62,77)(H2,63,78)(H2,64,80)(H,68,79)(H,69,86)(H,70,84)(H,71,81)(H,72,85)(H,73,82)(H,74,83)(H4,65,66,67)/t41-,42-,43-,44-,45-,46-,47-,48-/s2
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n/an/an/an/a 0.940n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Mus musculus)
BDBM50238711
PNG
(CHEMBL4097355)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C56H88N18O11/c1-32(2)27-40(71-52(83)42(28-33-9-4-3-5-10-33)73-50(81)41(67-46(77)18-21-57)29-34-14-16-36(75)17-15-34)49(80)72-43(30-35-19-24-64-25-20-35)51(82)69-38(12-7-23-66-56(62)63)54(85)74-26-8-13-44(74)53(84)68-37(11-6-22-65-55(60)61)48(79)70-39(47(59)78)31-45(58)76/h14-17,19-20,24-25,32-33,37-44,75H,3-13,18,21-23,26-31,57H2,1-2H3,(H2,58,76)(H2,59,78)(H,67,77)(H,68,84)(H,69,82)(H,70,79)(H,71,83)(H,72,80)(H,73,81)(H4,60,61,65)(H4,62,63,66)/t37-,38-,39-,40-,41-,42-,43-,44-/s2
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n/an/an/an/a 1.10n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
Neuromedin-U receptor 2


(Homo sapiens (Human))
BDBM50238692
PNG
(CHEMBL4060027)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1/C53H81N17O13/c1-29(2)25-37(68-46(78)34(18-19-43(74)75)64-48(80)38(63-42(73)20-21-54)27-31-14-16-32(71)17-15-31)47(79)69-39(26-30-9-4-3-5-10-30)49(81)66-35(12-7-23-62-53(59)60)51(83)70-24-8-13-40(70)50(82)65-33(11-6-22-61-52(57)58)45(77)67-36(44(56)76)28-41(55)72/h3-5,9-10,14-17,29,33-40,71H,6-8,11-13,18-28,54H2,1-2H3,(H2,55,72)(H2,56,76)(H,63,73)(H,64,80)(H,65,82)(H,66,81)(H,67,77)(H,68,78)(H,69,79)(H,74,75)(H4,57,58,61)(H4,59,60,62)/t33-,34-,35-,36-,37-,38-,39-,40-/s2
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n/an/an/an/a 1.20n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human NMUR2 expressed in CHO cells assessed as induction of Ca2+ flux measured for 180 secs by Fluo 4-AM dye-based FLIPR assay


J Med Chem 60: 6089-6097 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00330
BindingDB Entry DOI: 10.7270/Q2W37ZKK
More data for this
Ligand-Target Pair
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