BDBM50010543 6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-methylamino-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-hexanoic acid [1-(1-carbamoyl-3-methyl-butylcarbamoyl)-4-guanidino-butyl]-amide::CHEMBL408557
SMILES: CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChI Key: InChIKey=YPCYGLJCQYXZJX-RHIIWVEJSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (GUINEA PIG) | BDBM50010543 (6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI) | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50010543 (6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD) | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50010543 (6-Guanidino-2-{2-[2-(2-{2-[3-(4-hydroxy-phenyl)-2-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD). | J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6 | |||||||||||
More data for this Ligand-Target Pair |