BDBM50292417 (3S,5aR,10bR,11aS,3'S,5'R,11'R)-3,3'-Dibenzyl-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::CHEMBL504788::WIN-64821
SMILES: O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1C[C@]1([C@@H]2Nc2ccccc12)[C@]12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O
InChI Key: InChIKey=ZEANERNKMXBETI-BJHDJDSNSA-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 |
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Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50292417![]() ((3S,5aR,10bR,11aS,3'S,5'R,11'R)-3,3'-Dibenzyl-2,3,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of substance P receptor | J Nat Prod 57: 1239-1244 (1994) Article DOI: 10.1021/np50111a008 BindingDB Entry DOI: 10.7270/Q2GH9J05 | |||||||||||
More data for this Ligand-Target Pair |