BDBM50313886 CHEMBL1077365::trans-(5S)-5-butyl-3-((4-cyclopropoxycyclohexyl)methyl)-9-((3aR,6aS)-2-(4,6-dimethylpyrimidine-5-carbonyl)octahydrocyclopenta[c]pyrrol-5-yl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILES: CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC2CC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C
InChI Key: InChIKey=LYAAJDWEBKWXCC-CXYSXKLLSA-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)) | BDBM50313886 (CHEMBL1077365 | trans-(5S)-5-butyl-3-((4-cycloprop...) | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto Curated by ChEMBL | Assay Description Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells | Bioorg Med Chem Lett 20: 1830-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.004 BindingDB Entry DOI: 10.7270/Q25Q4W7T | |||||||||||
More data for this Ligand-Target Pair |