BDBM50016446 2-Amino-pentanedioic acid 5-amide 1-[(3-carbamoyl-1-{1-[1-({[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-propyl)-amide](C2H4O2)::2-[2-(2-{2-[2-(2-Amino-4-carbamoyl-butyrylamino)-4-carbamoyl-butyrylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-4-methyl-pentanoic acid (1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL2371916
SMILES: CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O
InChI Key: InChIKey=FHHJIELOJQJHCG-TYDLSAGMSA-N
Data: 1 KI
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 (Rattus norvegicus (rat)) | BDBM50016446 (2-Amino-pentanedioic acid 5-amide 1-[(3-carbamoyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices | J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B | |||||||||||
More data for this Ligand-Target Pair |