BDBM50064034 (5S,8R,11S,14R,17S,19aS)-5-Benzyl-11-(4-fluoro-benzyl)-8-((R)-1-hydroxy-ethyl)-14-(1H-indol-3-ylmethyl)-17-naphthalen-2-ylmethyl-tetradecahydro-3a,6,9,12,15,18-hexaaza-cyclopentacyclooctadecene-4,7,10,13,16,19-hexaone::CHEMBL418757
SMILES: C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
InChI Key: InChIKey=ABXDOBDGLYDVQT-NBGFENBTSA-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)) | BDBM50064034 ((5S,8R,11S,14R,17S,19aS)-5-Benzyl-11-(4-fluoro-ben...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity was measured for Tachykinin receptor 1 | J Med Chem 41: 1382-91 (1998) Article DOI: 10.1021/jm9800346 BindingDB Entry DOI: 10.7270/Q28S4P2Q | |||||||||||
More data for this Ligand-Target Pair |