BDBM50001600 CHEMBL267712::N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-6-oxo-hexahydro-pyrrolo[3,4-b]pyrrol-1-yl}-2-oxo-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-3-(2,6-diamino-hexanoylamino)-succinamic acid
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
InChI Key: InChIKey=RXPYHERBFPILFA-MFWRFTSHSA-N
Data: 3 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 1 receptor (GUINEA PIG) | BDBM50001600 (CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...) | 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 | 1.03E+3 | 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 | |||||||||||||
Neurokinin 3 receptor (Rattus norvegicus) | BDBM50001600 (CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a |
Glaxo Group Research Curated by ChEMBL | Assay Description In vitro agonistic activity against tachykinin receptor 3 of everted rat protal vein. | J Med Chem 35: 4195-204 (1992) BindingDB Entry DOI: 10.7270/Q2NZ8883 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Rattus norvegicus (Rat)) | BDBM50001600 (CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbam...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 45 | 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 |