Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238711' 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) | 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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 28 | 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 | |
Neuromedin-U receptor 1
(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
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 8.10 | 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 | |