BDBM50188202 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S,3R)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-hydroxybutan-2-yl]amino}methyl)pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}-2-(ethylamino)propyl]phenol::CHEMBL215347
SMILES: CCN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN[C@@H](CN1CCC[C@H]1CN)[C@@H](C)O)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
InChI Key: InChIKey=HEIWVXWVKSRCPS-QRLIXRFXSA-N
Data: 1 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 (Rattus norvegicus (rat)) | BDBM50188202 (4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S,3R)-1-[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Molecular Studies Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate | Bioorg Med Chem Lett 16: 4331-8 (2006) Article DOI: 10.1016/j.bmcl.2006.05.053 BindingDB Entry DOI: 10.7270/Q2028R47 | |||||||||||
More data for this Ligand-Target Pair |