BDBM50009674 4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-[2-((4-amino-butyryl)-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-ethyl}-amino)-ethyl]-butyramide::CHEMBL97363
SMILES: NCCCC(=O)NCCN(CCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN)C(=O)CCCN
InChI Key: InChIKey=SPSACABOQXSKTD-LQJZCPKCSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50009674 (4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-[2-((...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University Curated by ChEMBL | Assay Description The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes. | J Med Chem 34: 2816-21 (1991) BindingDB Entry DOI: 10.7270/Q2J965CZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (GUINEA PIG) | BDBM50009674 (4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-[2-((...) | UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University Curated by ChEMBL | Assay Description The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes. | J Med Chem 34: 2816-21 (1991) BindingDB Entry DOI: 10.7270/Q2J965CZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50009674 (4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-[2-((...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University Curated by ChEMBL | Assay Description The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes. | J Med Chem 34: 2816-21 (1991) BindingDB Entry DOI: 10.7270/Q2J965CZ | |||||||||||
More data for this Ligand-Target Pair |