BDBM50030211 (S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-propyl)-3,6,9,15,20-pentaoxo-1,4,7,10,14pentaaza-cycloicos-10-yl]-acetylamino}-4-methyl-pentanoic acid ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide::CHEMBL302349
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCCNC(=O)CCCCC(=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=MHGTZHZAQAFNNE-DUQWPARQSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50030211 ((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Technische Universität München Curated by ChEMBL | Assay Description Tested for the biological activity and selectivity against NK-3 receptor | J Med Chem 37: 2145-52 (1994) BindingDB Entry DOI: 10.7270/Q2NG4PNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Substance-P receptor (Homo sapiens (Human)) | BDBM50030211 ((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
Technische Universität München Curated by ChEMBL | Assay Description Tested for the biological activity and selectivity against NK-1 receptor | J Med Chem 37: 2145-52 (1994) BindingDB Entry DOI: 10.7270/Q2NG4PNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Substance-K receptor (Homo sapiens (Human)) | BDBM50030211 ((S)-2-{2-[(2R,5S,8R)-5,8-Dibenzyl-2-(3-guanidino-p...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a |
Technische Universität München Curated by ChEMBL | Assay Description Tested for the biological activity and selectivity against NK-2 receptor | J Med Chem 37: 2145-52 (1994) BindingDB Entry DOI: 10.7270/Q2NG4PNN | |||||||||||
More data for this Ligand-Target Pair |