BDBM50119348 (R)-2-cyclohexyl-2-((3S,4S)-3-((4-(4-fluorophenyl)piperidin-1-yl)methyl)-4-phenylpyrrolidin-1-yl)acetic acid::2-cyclohexyl-2-{3-[4-(4-fluorophenyl)hexahydro-1-pyridinylmethyl]-4-phenyltetrahydro-1H-1-pyrrolyl}acetic acid::CHEMBL103782
SMILES: OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ccc(F)cc2)[C@H](C1)c1ccccc1
InChI Key: InChIKey=VOLDNXUFIUKWPL-WIIGKZCBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50119348 ((R)-2-cyclohexyl-2-((3S,4S)-3-((4-(4-fluorophenyl)...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | 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 | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50119348 ((R)-2-cyclohexyl-2-((3S,4S)-3-((4-(4-fluorophenyl)...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity at CCR5 receptor in the presence of [125I]-MIP-1 alpha. | Bioorg Med Chem Lett 12: 3001-4 (2002) BindingDB Entry DOI: 10.7270/Q2MK6C71 | |||||||||||
More data for this Ligand-Target Pair |