BDBM50104254 CHEMBL82048::{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-propyl-carbamic acid benzyl ester
SMILES: CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1
InChI Key: InChIKey=NESOUKIOVGKPKU-SSEXGKCCSA-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)) | BDBM50104254 (CHEMBL82048 | {1-[(S)-4-(Benzenesulfonyl-methyl-am...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor | Citation and Details Article DOI: 10.1007/s00044-012-0138-3 BindingDB Entry DOI: 10.7270/Q2W3807W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50104254 (CHEMBL82048 | {1-[(S)-4-(Benzenesulfonyl-methyl-am...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells | Bioorg Med Chem Lett 11: 2475-9 (2001) BindingDB Entry DOI: 10.7270/Q2319V4F | |||||||||||
More data for this Ligand-Target Pair |