Found 135 hits of ec50 data for polymerid = 50006784 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238694
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.160 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238699
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50500779
(CHEMBL3758577)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)N)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 |r| Show InChI InChI=1S/C49H76N16O9/c1-28(2)24-34(62-43(71)36(64-46(74)49(3,4)56)26-30-16-9-6-10-17-30)41(69)63-35(25-29-14-7-5-8-15-29)42(70)60-32(19-12-22-58-48(54)55)45(73)65-23-13-20-37(65)44(72)59-31(18-11-21-57-47(52)53)40(68)61-33(39(51)67)27-38(50)66/h5-10,14-17,28,31-37H,11-13,18-27,56H2,1-4H3,(H2,50,66)(H2,51,67)(H,59,72)(H,60,70)(H,61,68)(H,62,71)(H,63,69)(H,64,74)(H4,52,53,57)(H4,54,55,58)/t31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.214 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020
BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238690
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50500783
(CHEMBL3759452)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)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 |r| Show InChI InChI=1S/C47H71N15O9/c1-27(2)23-34(60-42(68)35(56-28(3)63)24-29-13-6-4-7-14-29)41(67)61-36(25-30-15-8-5-9-16-30)43(69)58-32(18-11-21-55-47(52)53)45(71)62-22-12-19-37(62)44(70)57-31(17-10-20-54-46(50)51)40(66)59-33(39(49)65)26-38(48)64/h4-9,13-16,27,31-37H,10-12,17-26H2,1-3H3,(H2,48,64)(H2,49,65)(H,56,63)(H,57,70)(H,58,69)(H,59,66)(H,60,68)(H,61,67)(H4,50,51,54)(H4,52,53,55)/t31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.339 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020
BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238701
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50238710
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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)) | BDBM50238689
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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)) | BDBM50238695
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238693
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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)) | BDBM50238711
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 0.570 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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Takeda Pharmaceutical Company, 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)) | BDBM50238704
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | n/a | n/a | 0.690 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50291714
(CHEMBL4177021)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c(C)cc(O)cc1C)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 |r| Show InChI InChI=1S/C58H84N16O11/c1-32(2)25-43(71-53(82)45(29-37-17-10-7-11-18-37)73-54(83)46(67-35(5)75)30-39-33(3)26-38(76)27-34(39)4)51(80)72-44(28-36-15-8-6-9-16-36)52(81)69-41(20-13-23-66-58(63)64)56(85)74-24-14-21-47(74)55(84)68-40(19-12-22-65-57(61)62)50(79)70-42(49(60)78)31-48(59)77/h6-11,15-18,26-27,32,40-47,76H,12-14,19-25,28-31H2,1-5H3,(H2,59,77)(H2,60,78)(H,67,75)(H,68,84)(H,69,81)(H,70,79)(H,71,82)(H,72,80)(H,73,83)(H4,61,62,65)(H4,63,64,66)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035
BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50291730
(CHEMBL4169726)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)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 |r| Show InChI InChI=1S/C56H80N16O11/c1-32(2)27-41(69-52(81)44(29-35-15-8-5-9-16-35)71-50(79)42(65-33(3)73)30-36-20-22-37(74)23-21-36)49(78)70-43(28-34-13-6-4-7-14-34)51(80)67-39(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)53(82)66-38(17-10-24-63-55(59)60)48(77)68-40(47(58)76)31-46(57)75/h4-9,13-16,20-23,32,38-45,74H,10-12,17-19,24-31H2,1-3H3,(H2,57,75)(H2,58,76)(H,65,73)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,79)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in HEK293 cells assessed as IP3 accumulation after 60 mins in presence of myo-[2-3H(N)]inositol by scintill... |
ACS Med Chem Lett 9: 496-501 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00105
BindingDB Entry DOI: 10.7270/Q2FB55HS |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50291730
(CHEMBL4169726)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)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 |r| Show InChI InChI=1S/C56H80N16O11/c1-32(2)27-41(69-52(81)44(29-35-15-8-5-9-16-35)71-50(79)42(65-33(3)73)30-36-20-22-37(74)23-21-36)49(78)70-43(28-34-13-6-4-7-14-34)51(80)67-39(18-11-25-64-56(61)62)54(83)72-26-12-19-45(72)53(82)66-38(17-10-24-63-55(59)60)48(77)68-40(47(58)76)31-46(57)75/h4-9,13-16,20-23,32,38-45,74H,10-12,17-19,24-31H2,1-3H3,(H2,57,75)(H2,58,76)(H,65,73)(H,66,82)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,79)(H4,59,60,63)(H4,61,62,64)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035
BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238712
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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UniChem
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| n/a | n/a | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50049421
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020
BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262098
(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 |r,wU:114.118,96.99,22.25,wD:28.29,110.114,126.130,56.56,80.82,19.18,(-3.16,-27.74,;-1.83,-28.52,;-.49,-27.74,;.85,-28.52,;2.18,-27.74,;3.51,-28.52,;4.85,-27.74,;6.18,-28.52,;7.52,-27.74,;8.85,-28.52,;10.19,-27.74,;11.53,-28.52,;12.85,-27.74,;14.19,-28.52,;15.52,-27.74,;16.86,-28.52,;16.86,-30.06,;18.2,-27.75,;19.53,-28.52,;20.87,-27.76,;22.2,-28.53,;23.54,-27.77,;23.53,-26.23,;22.21,-25.46,;20.88,-26.22,;24.87,-25.47,;24.87,-23.93,;26.2,-26.24,;27.53,-25.47,;28.87,-26.25,;30.2,-25.48,;31.54,-26.26,;31.53,-27.8,;32.88,-25.49,;34.21,-26.25,;35.54,-25.49,;36.87,-26.25,;38.2,-25.49,;39.54,-26.25,;40.87,-25.49,;42.2,-26.25,;43.53,-25.49,;44.86,-26.25,;46.19,-25.49,;47.53,-26.25,;48.86,-25.49,;50.19,-26.25,;51.52,-25.49,;52.85,-26.25,;52.85,-27.79,;54.18,-25.49,;55.53,-26.24,;56.85,-25.45,;58.19,-26.2,;58.21,-27.74,;59.51,-25.42,;60.85,-26.2,;60.85,-27.74,;62.18,-28.5,;63.51,-27.74,;64.85,-28.51,;64.85,-30.05,;66.19,-30.79,;63.51,-30.81,;62.18,-30.04,;62.18,-25.42,;62.18,-23.88,;63.51,-26.19,;64.85,-25.42,;63.51,-24.65,;64.85,-23.88,;66.18,-23.12,;67.52,-23.89,;68.85,-23.12,;68.85,-21.58,;67.52,-20.81,;66.18,-21.58,;66.18,-26.19,;66.18,-27.74,;67.52,-25.43,;68.85,-26.19,;68.86,-27.73,;70.18,-28.5,;71.52,-27.74,;70.18,-30.05,;70.19,-25.43,;70.19,-23.89,;71.54,-26.18,;72.89,-25.42,;74.23,-26.19,;74.23,-27.73,;75.56,-28.5,;75.56,-30.04,;72.89,-23.88,;71.56,-23.11,;74.23,-23.09,;74.23,-21.54,;72.88,-20.77,;72.89,-19.23,;74.22,-18.46,;74.23,-16.91,;75.57,-16.14,;76.91,-16.91,;75.58,-14.6,;75.55,-20.77,;75.56,-19.23,;76.89,-21.54,;77.05,-23.07,;78.55,-23.38,;79.32,-22.05,;78.29,-20.92,;78.61,-19.41,;77.46,-18.37,;80.08,-18.92,;80.12,-17.37,;78.81,-16.57,;78.86,-15.02,;77.54,-14.22,;77.58,-12.67,;76.26,-11.86,;76.3,-10.32,;74.91,-12.59,;73.6,-11.78,;81.47,-16.64,;82.78,-17.44,;81.51,-15.09,;82.88,-14.36,;84.2,-15.16,;85.54,-14.42,;85.59,-12.89,;86.85,-15.23,;82.92,-12.81,;81.61,-12,;84.27,-12.08,;27.54,-23.93,;28.87,-23.17,;26.2,-23.16,)| Show InChI InChI=1S/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?/m0/s1 | PDB
UniProtKB/SwissProt
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| KEGG
PC cid
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238706
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.820 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.830 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50291715
(CHEMBL4172552)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)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 |r| Show InChI InChI=1S/C56H82N16O10/c1-31(2)24-42(70-52(80)43(27-34-14-7-5-8-15-34)69-48(76)38(57)29-37-32(3)25-36(73)26-33(37)4)50(78)71-44(28-35-16-9-6-10-17-35)51(79)67-40(19-12-22-65-56(62)63)54(82)72-23-13-20-45(72)53(81)66-39(18-11-21-64-55(60)61)49(77)68-41(47(59)75)30-46(58)74/h5-10,14-17,25-26,31,38-45,73H,11-13,18-24,27-30,57H2,1-4H3,(H2,58,74)(H2,59,75)(H,66,81)(H,67,79)(H,68,77)(H,69,76)(H,70,80)(H,71,78)(H4,60,61,64)(H4,62,63,65)/t38-,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.830 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035
BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50049421
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.920 | n/a | n/a | n/a | n/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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.930 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.940 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50238692
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50238698
(CHEMBL4069256)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)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C56H86N18O13/c1-32(2)27-40(71-49(82)37(18-19-46(78)79)67-51(84)41(29-34-14-16-35(75)17-15-34)66-45(77)31-73-25-22-63-23-26-73)50(83)72-42(28-33-9-4-3-5-10-33)52(85)69-38(12-7-21-65-56(61)62)54(87)74-24-8-13-43(74)53(86)68-36(11-6-20-64-55(59)60)48(81)70-39(47(58)80)30-44(57)76/h3-5,9-10,14-17,32,36-43,63,75H,6-8,11-13,18-31H2,1-2H3,(H2,57,76)(H2,58,80)(H,66,77)(H,67,84)(H,68,86)(H,69,85)(H,70,81)(H,71,82)(H,72,83)(H,78,79)(H4,59,60,64)(H4,61,62,65)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50262120
(CHEMBL4083670)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(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 |r,wU:116.120,98.101,24.27,wD:30.31,112.116,128.132,58.58,82.84,21.20,(-25.37,-15.68,;-24.04,-16.46,;-22.7,-15.69,;-21.36,-16.47,;-20.03,-15.69,;-18.69,-16.47,;-17.36,-15.69,;-16.03,-16.47,;-14.69,-15.69,;-13.36,-16.47,;-12.02,-15.69,;-10.69,-16.47,;-9.35,-15.69,;-8.01,-16.47,;-6.69,-15.69,;-5.35,-16.47,;-4.02,-15.69,;-2.68,-16.47,;-2.69,-18.01,;-1.35,-15.69,;-.01,-16.47,;1.33,-15.7,;2.66,-16.48,;4,-15.72,;3.99,-14.18,;2.67,-13.41,;1.34,-14.17,;5.33,-13.42,;5.33,-11.88,;6.66,-14.19,;7.99,-13.42,;9.33,-14.2,;10.66,-13.43,;12,-14.21,;11.99,-15.75,;13.34,-13.44,;14.67,-14.2,;16,-13.43,;17.33,-14.2,;18.66,-13.43,;20,-14.2,;21.33,-13.43,;22.66,-14.2,;23.99,-13.43,;25.32,-14.2,;26.65,-13.43,;27.99,-14.2,;29.32,-13.43,;30.65,-14.2,;31.98,-13.43,;33.31,-14.2,;33.31,-15.74,;34.64,-13.43,;35.99,-14.19,;37.31,-13.4,;38.65,-14.15,;38.67,-15.69,;39.97,-13.37,;41.3,-14.14,;41.31,-15.69,;42.64,-16.45,;43.97,-15.69,;45.31,-16.45,;45.31,-18,;46.65,-18.74,;43.97,-18.76,;42.64,-17.99,;42.64,-13.37,;42.64,-11.83,;43.97,-14.14,;45.31,-13.37,;43.97,-12.6,;45.31,-11.83,;46.64,-11.07,;47.98,-11.84,;49.31,-11.07,;49.31,-9.53,;47.98,-8.75,;46.64,-9.53,;46.64,-14.14,;46.64,-15.69,;47.98,-13.38,;49.31,-14.14,;49.32,-15.68,;50.64,-16.45,;51.98,-15.69,;50.64,-18,;50.64,-13.38,;50.65,-11.84,;52,-14.13,;53.35,-13.37,;54.69,-14.14,;54.69,-15.68,;56.02,-16.45,;56.02,-17.98,;53.35,-11.83,;52.02,-11.06,;54.69,-11.04,;54.68,-9.49,;53.34,-8.72,;53.34,-7.18,;54.68,-6.41,;54.69,-4.86,;56.03,-4.09,;57.37,-4.85,;56.04,-2.55,;56.01,-8.72,;56.01,-7.18,;57.35,-9.49,;57.51,-11.02,;59.01,-11.33,;59.78,-10,;58.75,-8.86,;59.07,-7.36,;57.92,-6.32,;60.54,-6.87,;60.58,-5.32,;59.27,-4.52,;59.32,-2.97,;58,-2.17,;58.04,-.62,;56.72,.21,;56.76,1.74,;55.37,-.54,;54.06,.28,;61.93,-4.59,;63.24,-5.39,;61.97,-3.04,;63.34,-2.3,;64.65,-3.1,;66,-2.37,;66.05,-.84,;67.31,-3.18,;63.38,-.76,;62.07,.05,;64.73,-.02,;8,-11.88,;9.33,-11.12,;6.66,-11.1,)| Show InChI InChI=1S/C98H163N19O22/c1-7-9-11-12-13-14-15-16-17-18-19-20-21-22-26-38-82(120)108-64-70-39-43-71(44-40-70)86(124)113-76(93(131)132)47-48-83(121)104-51-30-54-136-56-58-138-59-57-137-55-31-52-105-84(122)65-139-66-85(123)109-78(61-68-41-45-72(118)46-42-68)90(128)116-98(5,63-69-32-24-23-25-33-69)95(135)115-77(60-67(3)4)89(127)110-73(34-10-8-2)87(125)112-75(36-28-49-106-96(100)101)92(130)117-53-29-37-80(117)91(129)111-74(35-27-50-107-97(102)103-6)88(126)114-79(94(133)134)62-81(99)119/h23-25,32-33,41-42,45-46,67,70-71,73-80,118H,7-22,26-31,34-40,43-44,47-66H2,1-6H3,(H2,99,119)(H,104,121)(H,105,122)(H,108,120)(H,109,123)(H,110,127)(H,111,129)(H,112,125)(H,113,124)(H,114,126)(H,115,135)(H,116,128)(H,131,132)(H,133,134)(H4,100,101,106)(H3,102,103,107)/t70-,71-,73?,74-,75-,76-,77-,78-,79-,80-,98?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50291716
(CHEMBL4161902)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)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 |r| Show InChI InChI=1S/C60H82N16O10/c1-35(2)29-45(73-56(84)48(32-38-17-8-5-9-18-38)75-54(82)46(69-36(3)77)33-39-24-25-40-19-10-11-20-41(40)30-39)53(81)74-47(31-37-15-6-4-7-16-37)55(83)71-43(22-13-27-68-60(65)66)58(86)76-28-14-23-49(76)57(85)70-42(21-12-26-67-59(63)64)52(80)72-44(51(62)79)34-50(61)78/h4-11,15-20,24-25,30,35,42-49H,12-14,21-23,26-29,31-34H2,1-3H3,(H2,61,78)(H2,62,79)(H,69,77)(H,70,85)(H,71,83)(H,72,80)(H,73,84)(H,74,81)(H,75,82)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035
BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262116
(CHEMBL4060830)Show SMILES CCCCCCCCCCCC(=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 |r,wU:110.114,92.95,18.21,wD:24.25,106.110,122.126,52.52,76.78,15.14,(.66,-48.41,;1.99,-49.18,;3.32,-48.41,;4.66,-49.18,;6,-48.41,;7.33,-49.18,;8.67,-48.41,;10,-49.18,;11.33,-48.41,;12.67,-49.18,;14,-48.41,;15.34,-49.18,;15.34,-50.73,;16.68,-48.41,;18.01,-49.18,;19.35,-48.42,;20.68,-49.2,;22.02,-48.44,;22.01,-46.9,;20.69,-46.12,;19.36,-46.88,;23.35,-46.13,;23.35,-44.6,;24.68,-46.91,;26.01,-46.14,;27.35,-46.91,;28.68,-46.15,;30.02,-46.92,;30.01,-48.46,;31.35,-46.16,;32.69,-46.92,;34.02,-46.15,;35.35,-46.92,;36.68,-46.15,;38.02,-46.92,;39.35,-46.15,;40.68,-46.92,;42.01,-46.15,;43.34,-46.92,;44.67,-46.15,;46.01,-46.92,;47.34,-46.15,;48.67,-46.92,;50,-46.15,;51.33,-46.92,;51.33,-48.46,;52.66,-46.15,;54,-46.9,;55.32,-46.12,;56.66,-46.87,;56.68,-48.41,;57.99,-46.09,;59.32,-46.86,;59.33,-48.4,;60.66,-49.17,;61.99,-48.4,;63.33,-49.17,;63.33,-50.71,;64.67,-51.45,;61.99,-51.48,;60.66,-50.71,;60.66,-46.09,;60.66,-44.55,;61.99,-46.86,;63.33,-46.09,;61.99,-45.32,;63.33,-44.55,;64.66,-43.78,;66,-44.56,;67.33,-43.79,;67.33,-42.25,;65.99,-41.47,;64.66,-42.25,;64.66,-46.86,;64.66,-48.41,;65.99,-46.09,;67.33,-46.86,;67.33,-48.4,;68.66,-49.17,;70,-48.4,;68.66,-50.72,;68.66,-46.09,;68.66,-44.56,;70.02,-46.84,;71.37,-46.09,;72.71,-46.86,;72.71,-48.39,;74.04,-49.16,;74.04,-50.7,;71.37,-44.55,;70.04,-43.78,;72.71,-43.76,;72.7,-42.21,;71.36,-41.44,;71.36,-39.9,;72.7,-39.13,;72.71,-37.58,;74.05,-36.81,;75.39,-37.57,;74.05,-35.26,;74.03,-41.44,;74.03,-39.9,;75.37,-42.21,;75.52,-43.74,;77.03,-44.05,;77.8,-42.71,;76.77,-41.58,;77.09,-40.07,;75.94,-39.04,;78.56,-39.58,;78.6,-38.03,;77.29,-37.23,;77.33,-35.69,;76.02,-34.89,;76.06,-33.34,;74.74,-32.52,;74.78,-30.99,;73.38,-33.25,;72.08,-32.44,;79.95,-37.3,;81.26,-38.11,;79.99,-35.75,;81.36,-35.02,;82.67,-35.82,;84.02,-35.09,;84.07,-33.55,;85.33,-35.9,;81.4,-33.47,;80.09,-32.67,;82.75,-32.74,;26.02,-44.6,;27.35,-43.83,;24.68,-43.82,)| Show InChI InChI=1S/C92H151N19O22/c1-7-9-11-12-13-14-15-16-20-32-76(114)102-58-64-33-37-65(38-34-64)80(118)107-70(87(125)126)41-42-77(115)98-45-24-48-130-50-52-132-53-51-131-49-25-46-99-78(116)59-133-60-79(117)103-72(55-62-35-39-66(112)40-36-62)84(122)110-92(5,57-63-26-18-17-19-27-63)89(129)109-71(54-61(3)4)83(121)104-67(28-10-8-2)81(119)106-69(30-22-43-100-90(94)95)86(124)111-47-23-31-74(111)85(123)105-68(29-21-44-101-91(96)97-6)82(120)108-73(88(127)128)56-75(93)113/h17-19,26-27,35-36,39-40,61,64-65,67-74,112H,7-16,20-25,28-34,37-38,41-60H2,1-6H3,(H2,93,113)(H,98,115)(H,99,116)(H,102,114)(H,103,117)(H,104,121)(H,105,123)(H,106,119)(H,107,118)(H,108,120)(H,109,129)(H,110,122)(H,125,126)(H,127,128)(H4,94,95,100)(H3,96,97,101)/t64-,65-,67?,68-,69-,70-,71-,72-,73-,74-,92?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50291711
(CHEMBL4169739)Show SMILES [H][C@]12C[C@H](N(C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(C)=O)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C60H86N16O11/c1-34(2)28-44(73-56(85)47(30-37-16-8-5-9-17-37)75-54(83)45(69-35(3)77)31-38-22-24-40(78)25-23-38)53(82)74-46(29-36-14-6-4-7-15-36)55(84)71-42(20-13-27-68-60(65)66)58(87)76-48-21-11-10-18-39(48)32-49(76)57(86)70-41(19-12-26-67-59(63)64)52(81)72-43(51(62)80)33-50(61)79/h4-9,14-17,22-25,34,39,41-49,78H,10-13,18-21,26-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,84)(H,72,81)(H,73,85)(H,74,82)(H,75,83)(H4,63,64,67)(H4,65,66,68)/t39-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035
BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50500784
(CHEMBL4299242)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(C)(C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(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 |r| Show InChI InChI=1S/C92H159N17O23/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-35-80(111)99-39-42-122-44-46-124-48-50-126-52-54-128-56-58-130-60-62-132-64-63-131-61-59-129-57-55-127-53-51-125-49-47-123-45-43-121-41-36-81(112)108-92(4,5)89(120)107-77(67-71-30-22-19-23-31-71)86(117)105-75(65-69(2)3)84(115)106-76(66-70-28-20-18-21-29-70)85(116)103-73(33-26-38-101-91(97)98)88(119)109-40-27-34-78(109)87(118)102-72(32-25-37-100-90(95)96)83(114)104-74(82(94)113)68-79(93)110/h18-23,28-31,69,72-78H,6-17,24-27,32-68H2,1-5H3,(H2,93,110)(H2,94,113)(H,99,111)(H,102,118)(H,103,116)(H,104,114)(H,105,117)(H,106,115)(H,107,120)(H,108,112)(H4,95,96,100)(H4,97,98,101)/t72-,73-,74-,75-,76-,77+,78-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
University of California at Los Angeles
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human NMU2 expressed in HEK293 cells assessed as change in intracellular calcium flux by fluorescence assay |
Eur J Med Chem 101: 616-26 (2015)
Article DOI: 10.1016/j.ejmech.2015.07.020
BindingDB Entry DOI: 10.7270/Q26H4MFF |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262112
(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 |r,wU:115.119,97.100,24.27,wD:30.31,111.115,127.131,58.58,81.83,21.20,(-22.42,-49.58,;-21.1,-50.35,;-19.76,-49.58,;-18.42,-50.36,;-17.09,-49.58,;-15.75,-50.36,;-14.42,-49.58,;-13.09,-50.36,;-11.75,-49.58,;-10.42,-50.36,;-9.08,-49.58,;-7.74,-50.36,;-6.41,-49.58,;-5.07,-50.36,;-3.74,-49.58,;-2.41,-50.36,;-1.07,-49.58,;.26,-50.36,;.26,-51.91,;1.61,-49.59,;2.94,-50.36,;4.27,-49.6,;5.6,-50.37,;6.94,-49.61,;6.94,-48.08,;5.61,-47.3,;4.29,-48.06,;8.27,-47.31,;8.27,-45.77,;9.6,-48.08,;10.94,-47.31,;12.27,-48.09,;13.61,-47.32,;14.94,-48.1,;14.94,-49.64,;16.28,-47.33,;17.61,-48.1,;18.95,-47.33,;20.27,-48.1,;21.61,-47.33,;22.94,-48.1,;24.28,-47.33,;25.6,-48.1,;26.94,-47.33,;28.26,-48.1,;29.6,-47.33,;30.93,-48.1,;32.27,-47.33,;33.59,-48.1,;34.93,-47.33,;36.26,-48.1,;36.26,-49.63,;37.59,-47.33,;38.93,-48.08,;40.25,-47.3,;41.59,-48.05,;41.61,-49.58,;42.92,-47.26,;44.25,-48.04,;44.26,-49.58,;45.58,-50.35,;46.92,-49.58,;48.25,-50.35,;48.26,-51.89,;49.6,-52.63,;46.92,-52.65,;45.59,-51.89,;45.59,-47.27,;45.59,-45.72,;46.92,-48.03,;48.26,-47.27,;48.26,-45.73,;49.59,-44.96,;50.92,-45.73,;52.26,-44.96,;52.26,-43.43,;50.92,-42.65,;49.59,-43.42,;49.59,-48.03,;49.59,-49.58,;50.92,-47.27,;52.26,-48.04,;52.26,-49.58,;53.59,-50.34,;54.93,-49.58,;53.59,-51.89,;53.59,-47.27,;53.59,-45.73,;54.95,-48.02,;56.3,-47.26,;57.64,-48.03,;57.64,-49.57,;58.97,-50.34,;58.97,-51.88,;56.3,-45.73,;54.97,-44.95,;57.64,-44.93,;57.63,-43.38,;56.29,-42.61,;56.29,-41.07,;57.63,-40.3,;57.64,-38.75,;58.98,-37.98,;60.32,-38.75,;58.98,-36.44,;58.96,-42.61,;58.96,-41.08,;60.3,-43.38,;60.46,-44.91,;61.96,-45.22,;62.73,-43.89,;61.7,-42.76,;62.02,-41.25,;60.87,-40.21,;63.49,-40.76,;63.53,-39.21,;62.22,-38.41,;62.26,-36.86,;60.95,-36.06,;60.99,-34.51,;59.67,-33.7,;59.71,-32.16,;58.31,-34.43,;57.01,-33.62,;64.88,-38.48,;66.19,-39.29,;64.92,-36.93,;66.29,-36.2,;67.6,-37,;68.95,-36.27,;69,-34.73,;70.26,-37.07,;66.33,-34.65,;65.02,-33.84,;67.68,-33.92,;10.94,-45.77,;12.28,-45.01,;9.61,-45,)| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262111
(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 |r,wU:115.119,97.100,24.27,wD:30.31,111.115,126.130,58.58,81.83,21.20,(-30.8,-31.53,;-29.47,-32.3,;-28.14,-31.54,;-26.8,-32.32,;-25.47,-31.54,;-24.13,-32.32,;-22.79,-31.54,;-21.47,-32.32,;-20.13,-31.54,;-18.79,-32.32,;-17.46,-31.54,;-16.12,-32.32,;-14.79,-31.54,;-13.45,-32.32,;-12.12,-31.54,;-10.79,-32.32,;-9.45,-31.54,;-8.12,-32.32,;-8.13,-33.86,;-6.79,-31.54,;-5.45,-32.31,;-4.11,-31.55,;-2.78,-32.33,;-1.44,-31.57,;-1.45,-30.03,;-2.78,-29.26,;-4.11,-30.02,;-.12,-29.26,;-.11,-27.73,;1.22,-30.04,;2.56,-29.27,;3.89,-30.05,;5.23,-29.28,;6.56,-30.06,;6.56,-31.6,;7.9,-29.29,;9.23,-30.05,;10.57,-29.28,;11.89,-30.05,;13.23,-29.28,;14.56,-30.05,;15.9,-29.28,;17.22,-30.05,;18.56,-29.28,;19.88,-30.05,;21.22,-29.28,;22.55,-30.05,;23.89,-29.28,;25.21,-30.05,;26.55,-29.28,;27.87,-30.05,;27.87,-31.59,;29.21,-29.28,;30.55,-30.04,;31.87,-29.25,;33.21,-30,;33.23,-31.54,;34.53,-29.22,;35.87,-29.99,;35.87,-31.53,;37.2,-32.3,;38.54,-31.54,;39.87,-32.3,;39.88,-33.84,;41.22,-34.58,;38.53,-34.61,;37.21,-33.84,;37.21,-29.22,;37.2,-27.68,;38.53,-29.99,;39.88,-29.22,;39.87,-27.68,;41.21,-26.92,;42.54,-27.69,;43.88,-26.92,;43.88,-25.38,;42.54,-24.6,;41.21,-25.38,;41.2,-29.99,;41.21,-31.54,;42.54,-29.22,;43.87,-29.99,;43.88,-31.53,;45.21,-32.3,;46.54,-31.53,;45.21,-33.85,;45.21,-29.23,;45.21,-27.69,;46.56,-29.97,;47.91,-29.22,;49.25,-29.99,;49.25,-31.53,;50.58,-32.3,;50.58,-33.83,;47.91,-27.68,;46.58,-26.91,;49.25,-26.89,;49.25,-25.34,;47.91,-24.57,;47.91,-23.03,;49.25,-22.26,;49.25,-20.71,;50.6,-19.94,;51.93,-20.7,;50.6,-18.39,;50.58,-24.57,;50.58,-23.03,;51.91,-25.34,;52.07,-26.87,;53.57,-27.18,;54.34,-25.85,;53.31,-24.71,;53.64,-23.2,;52.49,-22.17,;55.11,-22.71,;55.15,-21.17,;53.84,-20.36,;53.88,-18.82,;52.56,-18.02,;52.6,-16.47,;51.29,-15.66,;49.93,-16.38,;51.33,-14.12,;56.5,-20.43,;57.8,-21.24,;56.54,-18.89,;57.9,-18.15,;59.22,-18.95,;60.57,-18.22,;60.62,-16.69,;61.88,-19.03,;57.94,-16.61,;56.64,-15.8,;59.29,-15.88,;2.56,-27.73,;3.9,-26.97,;1.23,-26.95,)| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50542392
(CHEMBL4647192)Show SMILES CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C40H72N12O8/c1-23(2)20-29(47-33(54)15-14-25-10-6-5-7-11-25)36(57)51-30(21-24(3)4)37(58)49-27(16-17-41)39(60)52-19-9-13-31(52)38(59)48-26(12-8-18-46-40(44)45)35(56)50-28(34(43)55)22-32(42)53/h23-31H,5-22,41H2,1-4H3,(H2,42,53)(H2,43,55)(H,47,54)(H,48,59)(H,49,58)(H,50,56)(H,51,57)(H4,44,45,46)/t26-,27-,28-,29-,30-,31-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells by Fluo-4-AM dye based calcium mobilization assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115454
BindingDB Entry DOI: 10.7270/Q2JW8JDK |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50049421
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in CHO cells by calcium mobilization assay |
J Med Chem 57: 6583-93 (2014)
Article DOI: 10.1021/jm500599s
BindingDB Entry DOI: 10.7270/Q2FQ9Z71 |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50085928
(CHEMBL3425593)Show SMILES NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cccs1)C(N)=O |r| Show InChI InChI=1S/C47H62FN15O8S/c48-28-15-13-26(14-16-28)21-35(62-43(69)36(58-39(65)23-29-7-6-20-72-29)22-27-25-57-31-9-2-1-8-30(27)31)42(68)60-33(11-4-18-56-47(53)54)45(71)63-19-5-12-37(63)44(70)59-32(10-3-17-55-46(51)52)41(67)61-34(40(50)66)24-38(49)64/h1-2,6-9,13-16,20,25,32-37,57H,3-5,10-12,17-19,21-24H2,(H2,49,64)(H2,50,66)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,69)(H4,51,52,55)(H4,53,54,56)/t32-,33-,34-,35-,36-,37-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/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)) | BDBM50262119
(CHEMBL4097408)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)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(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(O)=O)C(O)=O |r,wU:120.126,68.69,102.107,22.25,wD:28.29,116.122,131.137,56.56,91.95,83.86,19.18,(-13.73,-45.46,;-12.39,-46.23,;-11.06,-45.46,;-9.72,-46.23,;-8.39,-45.46,;-7.06,-46.23,;-5.72,-45.46,;-4.39,-46.23,;-3.05,-45.46,;-1.72,-46.23,;-.38,-45.46,;.96,-46.23,;2.28,-45.46,;3.62,-46.23,;4.95,-45.46,;6.29,-46.23,;6.29,-47.78,;7.63,-45.46,;8.96,-46.23,;10.3,-45.47,;11.63,-46.25,;12.97,-45.48,;12.96,-43.95,;11.64,-43.17,;10.31,-43.93,;14.3,-43.18,;14.3,-41.64,;15.63,-43.95,;16.96,-43.19,;18.3,-43.96,;19.63,-43.2,;20.97,-43.97,;20.96,-45.51,;22.31,-43.21,;23.64,-43.97,;24.97,-43.2,;26.3,-43.97,;27.63,-43.2,;28.97,-43.97,;30.3,-43.2,;31.63,-43.97,;32.96,-43.2,;34.29,-43.97,;35.62,-43.2,;36.96,-43.97,;38.29,-43.2,;39.62,-43.97,;40.95,-43.2,;42.28,-43.97,;42.28,-45.51,;43.61,-43.2,;44.96,-43.95,;46.28,-43.17,;47.62,-43.92,;47.64,-45.46,;48.94,-43.13,;50.27,-43.91,;50.28,-45.45,;51.61,-46.22,;52.94,-45.45,;54.28,-46.22,;54.28,-47.76,;55.62,-48.5,;52.94,-48.53,;51.61,-47.76,;51.61,-43.14,;51.61,-41.6,;52.94,-43.9,;54.28,-43.14,;54.28,-41.6,;55.61,-40.83,;56.95,-41.6,;58.28,-40.83,;58.28,-39.3,;59.62,-38.53,;59.62,-36.99,;58.28,-36.22,;56.95,-36.99,;56.95,-38.52,;55.61,-39.3,;55.61,-43.91,;55.61,-45.45,;56.94,-43.14,;58.28,-43.91,;58.28,-45.45,;59.61,-46.22,;60.95,-45.45,;59.61,-47.76,;59.61,-43.14,;59.62,-41.61,;60.97,-43.89,;62.32,-43.13,;63.66,-43.91,;63.66,-45.44,;64.99,-46.21,;64.99,-47.75,;63.65,-48.52,;62.32,-47.75,;62.32,-46.21,;62.32,-41.6,;60.99,-40.83,;63.66,-40.8,;63.65,-39.25,;62.31,-38.48,;62.31,-36.95,;63.65,-36.18,;63.66,-34.63,;65,-33.86,;66.34,-34.62,;65.01,-32.31,;64.98,-38.49,;64.98,-36.95,;66.32,-39.26,;66.48,-40.79,;67.98,-41.1,;68.75,-39.76,;67.72,-38.63,;68.04,-37.12,;66.89,-36.09,;69.51,-36.63,;69.55,-35.08,;68.24,-34.28,;68.29,-32.73,;66.97,-31.93,;67.01,-30.39,;65.69,-29.57,;64.34,-30.3,;65.73,-28.03,;70.9,-34.35,;72.21,-35.16,;70.94,-32.8,;72.31,-32.07,;73.62,-32.87,;74.97,-32.14,;75.02,-30.6,;76.28,-32.95,;72.35,-30.52,;71.04,-29.72,;73.7,-29.79,;16.97,-41.65,;18.3,-40.88,;15.63,-40.87,)| Show InChI InChI=1S/C101H155N19O22/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-34-86(123)111-64-70-35-41-73(42-36-70)90(127)115-78(98(135)136)45-46-87(124)107-49-25-52-139-54-56-141-57-55-140-53-26-50-108-88(125)65-142-66-89(126)112-80(61-69-38-43-75(121)44-39-69)93(130)118-82(62-71-37-40-72-29-20-21-30-74(72)59-71)95(132)116-79(58-67(2)3)92(129)117-81(60-68-27-17-16-18-28-68)94(131)114-77(32-23-48-110-101(105)106)97(134)120-51-24-33-84(120)96(133)113-76(31-22-47-109-100(103)104)91(128)119-83(99(137)138)63-85(102)122/h16-18,20-21,27-30,37-40,43-44,59,67,70,73,76-84,121H,4-15,19,22-26,31-36,41-42,45-58,60-66H2,1-3H3,(H2,102,122)(H,107,124)(H,108,125)(H,111,123)(H,112,126)(H,113,133)(H,114,131)(H,115,127)(H,116,132)(H,117,129)(H,118,130)(H,119,128)(H,135,136)(H,137,138)(H4,103,104,109)(H4,105,106,110)/t70-,73-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262104
(CHEMBL4088810)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C102H159N27O21/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-47-127-49-51-128(52-50-127)60-86(136)115-64(4)87(137)125-80(61-130)95(145)118-73(42-43-83(103)133)90(140)126-81(62-131)96(146)117-71(32-24-44-111-100(105)106)88(138)114-59-85(135)116-76(56-66-37-40-70(132)41-38-66)92(142)123-78(57-67-36-39-68-30-21-22-31-69(68)54-67)94(144)121-75(53-63(2)3)91(141)122-77(55-65-28-19-18-20-29-65)93(143)120-74(34-26-46-113-102(109)110)98(148)129-48-27-35-82(129)97(147)119-72(33-25-45-112-101(107)108)89(139)124-79(99(149)150)58-84(104)134/h18-22,28-31,36-41,54,63-64,71-82,130-132H,5-17,23-27,32-35,42-53,55-62H2,1-4H3,(H2,103,133)(H2,104,134)(H,114,138)(H,115,136)(H,116,135)(H,117,146)(H,118,145)(H,119,147)(H,120,143)(H,121,144)(H,122,141)(H,123,142)(H,124,139)(H,125,137)(H,126,140)(H,149,150)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50238708
(CHEMBL4060571)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)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 |r| Show InChI InChI=1S/C57H85N17O10/c1-33(2)28-43(71-53(82)45(31-36-22-23-37-16-7-8-17-38(37)29-36)72-49(78)39(67-34(3)75)18-9-10-24-58)51(80)73-44(30-35-14-5-4-6-15-35)52(81)69-41(20-12-26-66-57(63)64)55(84)74-27-13-21-46(74)54(83)68-40(19-11-25-65-56(61)62)50(79)70-42(48(60)77)32-47(59)76/h4-8,14-17,22-23,29,33,39-46H,9-13,18-21,24-28,30-32,58H2,1-3H3,(H2,59,76)(H2,60,77)(H,67,75)(H,68,83)(H,69,81)(H,70,79)(H,71,82)(H,72,78)(H,73,80)(H4,61,62,65)(H4,63,64,66)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, 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)) | BDBM50291719
(CHEMBL4165538)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1)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 |r| Show InChI InChI=1S/C55H78N16O10/c1-31(2)24-41(68-51(79)43(26-33-14-7-4-8-15-33)69-48(76)40-28-34-19-20-36(72)27-35(34)30-64-40)49(77)70-42(25-32-12-5-3-6-13-32)50(78)66-38(17-10-22-63-55(60)61)53(81)71-23-11-18-44(71)52(80)65-37(16-9-21-62-54(58)59)47(75)67-39(46(57)74)29-45(56)73/h3-8,12-15,19-20,27,31,37-44,64,72H,9-11,16-18,21-26,28-30H2,1-2H3,(H2,56,73)(H2,57,74)(H,65,80)(H,66,78)(H,67,75)(H,68,79)(H,69,76)(H,70,77)(H4,58,59,62)(H4,60,61,63)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035
BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this
Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50262102
(CHEMBL4073508)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O)CC1 |r| Show InChI InChI=1S/C91H141N23O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-44-112-46-48-113(49-47-112)57-78(119)104-74(58-115)85(126)105-66(31-23-41-99-89(93)94)79(120)102-56-77(118)103-70(53-61-36-39-65(116)40-37-61)82(123)110-72(54-62-35-38-63-29-20-21-30-64(63)51-62)84(125)108-69(50-59(2)3)81(122)109-71(52-60-27-18-17-19-28-60)83(124)107-68(33-25-43-101-91(97)98)87(128)114-45-26-34-75(114)86(127)106-67(32-24-42-100-90(95)96)80(121)111-73(88(129)130)55-76(92)117/h17-21,27-30,35-40,51,59,66-75,115-116H,4-16,22-26,31-34,41-50,52-58H2,1-3H3,(H2,92,117)(H,102,120)(H,103,118)(H,104,119)(H,105,126)(H,106,127)(H,107,124)(H,108,125)(H,109,122)(H,110,123)(H,111,121)(H,129,130)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd, Fujisawa 251-8555, Japan. Electronic address: naoki.nishizawa@takeda.com.
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)
Article DOI: 10.1016/j.bmcl.2017.09.019
BindingDB Entry DOI: 10.7270/Q24J0HMN |
More data for this
Ligand-Target Pair | |
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