Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238691' 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)) | 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 | 0.410 | 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) | 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 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 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 | |