BDBM50033653 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL317035
SMILES: Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O
InChI Key: InChIKey=ZJKCEVULTASPKD-SXNYVGIYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50033653 (1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Binding affinity against kappa opioid receptor from calf frontal cortex. | J Med Chem 36: 3154-60 (1993) BindingDB Entry DOI: 10.7270/Q2K64H31 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu opioid receptor (CALF) | BDBM50033653 (1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Binding affinity against mu opioid receptor from calf frontal cortex. | J Med Chem 36: 3154-60 (1993) BindingDB Entry DOI: 10.7270/Q2K64H31 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM50033653 (1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Curated by ChEMBL | Assay Description Binding affinity against delta opioid receptor from calf frontal cortex. | J Med Chem 36: 3154-60 (1993) BindingDB Entry DOI: 10.7270/Q2K64H31 | |||||||||||
More data for this Ligand-Target Pair |