Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50262100' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuromedin-U receptor 1
(Mus musculus) | BDBM50262100
(CHEMBL4071009)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=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/C80H121N17O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-95-43-45-96(46-44-95)53-70(100)88-64(50-56-34-37-60(98)38-35-56)73(103)93-66(51-57-33-36-58-28-20-21-29-59(58)48-57)75(105)91-63(47-54(2)3)72(102)92-65(49-55-26-18-17-19-27-55)74(104)90-62(31-24-40-87-80(84)85)77(107)97-42-25-32-68(97)76(106)89-61(30-23-39-86-79(82)83)71(101)94-67(78(108)109)52-69(81)99/h17-21,26-29,33-38,48,54,61-68,98H,4-16,22-25,30-32,39-47,49-53H2,1-3H3,(H2,81,99)(H,88,100)(H,89,106)(H,90,104)(H,91,105)(H,92,102)(H,93,103)(H,94,101)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 170 | 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 mouse NMUR1 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 1
(Homo sapiens (Human)) | BDBM50262100
(CHEMBL4071009)Show SMILES CCCCCCCCCCCCCCCCN1CCN(CC(=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/C80H121N17O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-41-95-43-45-96(46-44-95)53-70(100)88-64(50-56-34-37-60(98)38-35-56)73(103)93-66(51-57-33-36-58-28-20-21-29-59(58)48-57)75(105)91-63(47-54(2)3)72(102)92-65(49-55-26-18-17-19-27-55)74(104)90-62(31-24-40-87-80(84)85)77(107)97-42-25-32-68(97)76(106)89-61(30-23-39-86-79(82)83)71(101)94-67(78(108)109)52-69(81)99/h17-21,26-29,33-38,48,54,61-68,98H,4-16,22-25,30-32,39-47,49-53H2,1-3H3,(H2,81,99)(H,88,100)(H,89,106)(H,90,104)(H,91,105)(H,92,102)(H,93,103)(H,94,101)(H,108,109)(H4,82,83,86)(H4,84,85,87)/t61-,62-,63-,64-,65-,66-,67-,68-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | 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 NMUR1 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 | |
Search and Browse
