BDBM50283254 (S)-2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-pentanedioic acid 5-amide 1-({(S)-1-[(S)-1-({[(S)-1-((S)-1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-amide)::CHEMBL2369763
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]1CCC(=O)N1)C(N)=O
InChI Key: InChIKey=XDUVKSVLDVUFCJ-JNRWAQIZSA-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 (GUINEA PIG) | BDBM50283254 ((S)-2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-penta...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration producing half-maximal inhibition of specific binding of. [125I]-Bolton-Hunter Substance P to NK-1 receptors in the guinea pig cerebral... | Bioorg Med Chem Lett 4: 2263-2266 (1994) Article DOI: 10.1016/0960-894X(94)85022-4 BindingDB Entry DOI: 10.7270/Q2959HHG | |||||||||||
More data for this Ligand-Target Pair |