BDBM50321028 (1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-11,15-dihydroxy-N-phenyl-13,17-dioxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7(12),8,10-triene-16-carboxamide::CHEMBL1165548
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(O)CC[C@@]35O[C@H]1C(=O)Nc1ccccc1
InChI Key: InChIKey=YYNRSCGPLWDLNI-VQBGKWCDSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50321028 ((1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-11,15...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University Curated by ChEMBL | Assay Description Binding affinity to kappa opioid receptor | Bioorg Med Chem 18: 4446-52 (2010) Article DOI: 10.1016/j.bmc.2010.04.069 BindingDB Entry DOI: 10.7270/Q23X87MV | |||||||||||
More data for this Ligand-Target Pair |