BDBM50123136 (R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(propyl-pyrimidin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid::(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(propyl(pyrimidin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid::CHEMBL428104
SMILES: CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1)c1ncccn1
InChI Key: InChIKey=ATYIPORMNOLRNY-HNPKZYAISA-N
Data: 3 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)) | BDBM50123136 ((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 | 1.80 | 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)) | BDBM50123136 ((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 | 11 | 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)) | BDBM50123136 ((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 | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing University of Technology Curated by ChEMBL | Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells | Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W | |||||||||||
More data for this Ligand-Target Pair |