BDBM50088302 CHEMBL56565::Dimethyl-(tetrahydro-pyran-4-yl)-(4-{[7-(4-trifluoromethyl-phenyl)-2,3-dihydro-benzo[b]oxepine-4-carbonyl]-amino}-benzyl)-ammonium; iodide
SMILES: C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1
InChI Key: InChIKey=JUEYXIWASNAVBU-UHFFFAOYSA-O
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50088302 (CHEMBL56565 | Dimethyl-(tetrahydro-pyran-4-yl)-(4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd. Curated by ChEMBL | Assay Description Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES | J Med Chem 43: 2049-63 (2000) BindingDB Entry DOI: 10.7270/Q26D5S75 | |||||||||||
More data for this Ligand-Target Pair |