BDBM50399661 CHEMBL2178339
SMILES: COc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
InChI Key: InChIKey=XQHYYYJKKZCRGF-PWRWGUARSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50399661 (CHEMBL2178339) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]Naloxone from mu opioid receptor expressed in CHO cells after 1 hr | J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50399661 (CHEMBL2178339) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]DPN from kappa opioid receptor expressed in CHO cells after 1 hr | J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50399661 (CHEMBL2178339) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells after 1 hr | J Med Chem 55: 10118-29 (2012) Article DOI: 10.1021/jm301247n BindingDB Entry DOI: 10.7270/Q29P32SK | |||||||||||
More data for this Ligand-Target Pair |