BDBM50236873 CHEMBL4099840
SMILES: [H][C@]12CCC[C@H](N3CC[C@@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=BEWAPTMRQKYOSC-PXDUREFJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig)) | BDBM50236873 (CHEMBL4099840) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL | Assay Description Displacement of [3H]5-HT from serotonin transporter of rat brain | J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50236873 (CHEMBL4099840) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a |
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL | Assay Description Agonist activity at recombinant human kappa-type opioid receptor expressed in HEK293 cells after 30 mins by [35S]GTPgammaS binding assay | J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z | |||||||||||
More data for this Ligand-Target Pair |