Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuromedin-U receptor 2' and Ligand = 'BDBM50291699' 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 2
(Homo sapiens (Human)) | BDBM50291699
(CHEMBL4175546)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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/C60H82N16O11/c1-34(2)28-45(73-56(85)47(30-36-12-5-4-6-13-36)74-54(83)46(69-35(3)77)31-37-20-23-41(78)24-21-37)53(82)75-48(32-38-19-22-39-14-7-8-15-40(39)29-38)55(84)71-43(17-10-26-68-60(65)66)58(87)76-27-11-18-49(76)57(86)70-42(16-9-25-67-59(63)64)52(81)72-44(51(62)80)33-50(61)79/h4-8,12-15,19-24,29,34,42-49,78H,9-11,16-18,25-28,30-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,84)(H,72,81)(H,73,85)(H,74,83)(H,75,82)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Displacement of [3H]-NMU-8 from human NMUR2 expressed in HEK293 cell membranes after 3 hrs by microscintillation counting |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |
Neuromedin-U receptor 2
(Homo sapiens (Human)) | BDBM50291699
(CHEMBL4175546)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)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/C60H82N16O11/c1-34(2)28-45(73-56(85)47(30-36-12-5-4-6-13-36)74-54(83)46(69-35(3)77)31-37-20-23-41(78)24-21-37)53(82)75-48(32-38-19-22-39-14-7-8-15-40(39)29-38)55(84)71-43(17-10-26-68-60(65)66)58(87)76-27-11-18-49(76)57(86)70-42(16-9-25-67-59(63)64)52(81)72-44(51(62)80)33-50(61)79/h4-8,12-15,19-24,29,34,42-49,78H,9-11,16-18,25-28,30-33H2,1-3H3,(H2,61,79)(H2,62,80)(H,69,77)(H,70,86)(H,71,84)(H,72,81)(H,73,85)(H,74,83)(H,75,82)(H4,63,64,67)(H4,65,66,68)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 304 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description Agonist activity at human NMUR2 expressed in HEK293 cells assessed as induction of IP3 levels using myo-[2-3H(N)]-inositol after 60 mins by SPA-based... |
Eur J Med Chem 144: 887-897 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.035 BindingDB Entry DOI: 10.7270/Q22B91JP |
More data for this Ligand-Target Pair | |