BDBM50254721 1-(4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-3-ylsulfonyl)piperidin-1-yl)ethanone::CHEMBL454493
SMILES: CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCN(CC1)C(C)=O
InChI Key: InChIKey=XRZWBTRQFZHJKL-UHFFFAOYSA-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 |
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C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50254721 (1-(4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbo...) | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC Curated by ChEMBL | Assay Description Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay | Bioorg Med Chem Lett 19: 209-13 (2008) Article DOI: 10.1016/j.bmcl.2008.10.115 BindingDB Entry DOI: 10.7270/Q2FQ9WGB | |||||||||||
More data for this Ligand-Target Pair |