BDBM50121824 (R)-2-((S)-3-(3-Fluoro-phenyl)-4-{4-[2-(4-fluoro-phenylsulfanyl)-ethyl]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-3-methyl-butyric acid::CHEMBL281176
SMILES: CC(C)[C@@H](N1C[C@H](CN2CCC(CCSc3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1)C(O)=O
InChI Key: InChIKey=XEQPCWADPBBPBI-MLKSZZLFSA-N
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)) | BDBM50121824 ((R)-2-((S)-3-(3-Fluoro-phenyl)-4-{4-[2-(4-fluoro-p...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane | Bioorg Med Chem Lett 13: 119-23 (2002) BindingDB Entry DOI: 10.7270/Q2CN7382 | |||||||||||
More data for this Ligand-Target Pair |