BDBM50001596 3-(2-Acetylamino-6-amino-hexanoylamino)-N-{1-[1-(1-{1-[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-2-oxo-pyrrolidin-3-ylcarbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid::CHEMBL134091
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O
InChI Key: InChIKey=LOMJQACLACNTJR-GIZXYOPUSA-N
Data: 2 EC50
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 2 receptor (Rattus norvegicus (Rat)) | BDBM50001596 (3-(2-Acetylamino-6-amino-hexanoylamino)-N-{1-[1-(1...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Glaxo Group Research Curated by ChEMBL | Assay Description In vitro agonistic activity against tachykinin receptor 2 of rat colon muscularis mucosae. | J Med Chem 35: 4195-204 (1992) BindingDB Entry DOI: 10.7270/Q2NZ8883 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (GUINEA PIG) | BDBM50001596 (3-(2-Acetylamino-6-amino-hexanoylamino)-N-{1-[1-(1...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
Glaxo Group Research Curated by ChEMBL | Assay Description In vitro agonistic activity against tachykinin receptor 1 of guinea pig ileum longitudinal smooth muscle. | J Med Chem 35: 4195-204 (1992) BindingDB Entry DOI: 10.7270/Q2NZ8883 | |||||||||||
More data for this Ligand-Target Pair |