Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 1' and Ligand = 'BDBM50238696' 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)) | 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
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.90 | 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) | 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 | 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 | 13 | 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 | |