Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238706' 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
(Homo sapiens (Human)) | BDBM50238706
![PNG](/data/jpeg/tenK5023/BindingDB_50238706.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 |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
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR1 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 1
(Mus musculus) | BDBM50238706
![PNG](/data/jpeg/tenK5023/BindingDB_50238706.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 |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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at mouse NMUR1 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 | |