BDBM50248826 (2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]-3-(2-methoxyphenyl)prop-2-enamide::CHEMBL513598
SMILES: COc1ccccc1\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
InChI Key: InChIKey=FNPUPASPXRTPGG-PILMVFDPSA-N
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)) | BDBM50248826 ((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50248826 ((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50248826 ((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 0.950 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Rattus norvegicus (rat)) | BDBM50248826 ((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding | J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24 | |||||||||||
More data for this Ligand-Target Pair |