BDBM50123138 (R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-{4-[(5-fluoro-pyrimidin-2-yl)-propyl-amino]-piperidin-1-ylmethyl}-pyrrolidin-1-yl)-propionic acid::CHEMBL344261
SMILES: CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncc(F)cn1
InChI Key: InChIKey=LXLHCGLWCKKLPP-MLKSZZLFSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CCR5/mu opioid receptor complex (Homo sapiens (Human)) | BDBM50123138 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes | Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50123138 ((R)-3-Cyclobutyl-2-((3S,4S)-3-(3-fluoro-phenyl)-4-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement inhibition of 125-I labeled MIP-alpha from CCR5 receptor expressed on CHO cell membranes | Bioorg Med Chem Lett 13: 427-31 (2003) BindingDB Entry DOI: 10.7270/Q2PR7VBW | |||||||||||
More data for this Ligand-Target Pair |