BDBM50254571 (1S,5R,13R,17S)-17-hydroxy-14-oxo-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10-carboxamide::CHEMBL464250
SMILES: NC(=O)c1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
InChI Key: InChIKey=NMCHQXWAEXPBIO-PEFDPPPMSA-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)) | BDBM50254571 ((1S,5R,13R,17S)-17-hydroxy-14-oxo-4-(prop-2-en-1-y...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50254571 ((1S,5R,13R,17S)-17-hydroxy-14-oxo-4-(prop-2-en-1-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50254571 ((1S,5R,13R,17S)-17-hydroxy-14-oxo-4-(prop-2-en-1-y...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute Curated by ChEMBL | Assay Description Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K | |||||||||||
More data for this Ligand-Target Pair |