BDBM50286416 (3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-10-methyl-2,3,5a,6,11,11a,2',3',5'a,6',11',11'a-dodecahydro-[10b,10'b]bi[pyrazino[1',2':1,5]pyrrolo[2,3-b]indolyl]-1,4,1',4'-tetraone::CHEMBL341365
SMILES: Cc1cccc2N[C@@H]3N4[C@@H](CC3(c12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)C(=O)N[C@@H](Cc1ccccc1)C4=O
InChI Key: InChIKey=BBOVGJPWQAJNJG-ROOYGRKUSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50286416 ((3S,5aR,11aS,3'S,5'aR,11'aS)-3,3'-Dibenzyl-10-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonistic activity against Tachykinin receptor 1 | Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8 | |||||||||||
More data for this Ligand-Target Pair |