BDBM50254705 CHEMBL4068633
SMILES: [H][C@]12CCN(Cc3ccccc3F)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)Nc1ccc(C)c(c1)C(F)(F)F
InChI Key: InChIKey=JMIJHHCCJXAAIY-XWFZLUIHSA-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 (Homo sapiens (Human)) | BDBM50254705 (CHEMBL4068633) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Departments of Molecular Medicine and Neuroscience, The Scripps Research Institute, Jupiter, Florida 33458, United States. Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay | ACS Med Chem Lett 8: 694-700 (2017) Article DOI: 10.1021/acsmedchemlett.7b00224 BindingDB Entry DOI: 10.7270/Q23N25TP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50254705 (CHEMBL4068633) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
ShanghaiTech University Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in human U2OS cells co-transfected with EFC and beta-arrestin-2 assessed as increase in bet... | J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50254705 (CHEMBL4068633) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 85 | n/a | n/a | n/a | n/a |
ShanghaiTech University Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as increase in [35S]-GTPgammaS binding after 1 hrs by TopCou... | J Med Chem 61: 9841-9878 (2018) Article DOI: 10.1021/acs.jmedchem.8b00435 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Homo sapiens (Human)) | BDBM50254705 (CHEMBL4068633) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Departments of Molecular Medicine and Neuroscience, The Scripps Research Institute, Jupiter, Florida 33458, United States. Curated by ChEMBL | Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as beta-arrestin2 recruitment by enzyme fragment complementation meth... | ACS Med Chem Lett 8: 694-700 (2017) Article DOI: 10.1021/acsmedchemlett.7b00224 BindingDB Entry DOI: 10.7270/Q23N25TP | |||||||||||
More data for this Ligand-Target Pair |