BDBM50052518 (S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino-propyl)-5,8,11,14,17-pentaoxo-1,4,7,10,13pentaaza-cycloheptadec-4-yl]-acetylamino}-4-methyl-pentanoic acid ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL419558
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O
InChI Key: InChIKey=VVWBELVCANARRU-ALJNDBQTSA-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 3 receptor (Rattus norvegicus) | BDBM50052518 ((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Effective concentration to activate Tachykinin receptor 3 in rat portal vein (RPV) | J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Rattus norvegicus (Rat)) | BDBM50052518 ((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Effective concentration to activate Tachykinin receptor 2 in rat vas deferens (RVD) | J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (GUINEA PIG) | BDBM50052518 ((S)-2-{2-[(6S,9R,12S)-6,9-Dibenzyl-12-(3-guanidino...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a |
Hebrew University of Jerusalem Curated by ChEMBL | Assay Description Effective concentration to activate Tachykinin receptor 1 in guinea pig ileum(GPI) | J Med Chem 39: 3174-8 (1996) Article DOI: 10.1021/jm960154i BindingDB Entry DOI: 10.7270/Q27943SZ | |||||||||||
More data for this Ligand-Target Pair |