BDBM50245894 CHEMBL461313::N-{[(1R,9S,10S,13R)-17-(cyclopropylmethyl)-4-hydroxy-18-oxa-17-azapentacyclo[7.5.3.1^{10,13}.0^{1,10}.0^{2,7}]octadeca-2(7),3,5-trien-13-yl]methyl}benzamide
SMILES: Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@@]4(C[C@@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1
InChI Key: InChIKey=XFDJCAOJNOATOO-DQFDVREHSA-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 (MOUSE) | BDBM50245894 (CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.288 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum | Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50245894 (CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.303 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig cerebellum | Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (MOUSE) | BDBM50245894 (CHEMBL461313 | N-{[(1R,9S,10S,13R)-17-(cyclopropyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum | Bioorg Med Chem Lett 18: 6398-401 (2008) Article DOI: 10.1016/j.bmcl.2008.10.081 BindingDB Entry DOI: 10.7270/Q2DN45Z1 | |||||||||||
More data for this Ligand-Target Pair |