BDBM50096557 CHEMBL312701::N-[(S)-2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide::N-[2-(3-Chloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzenesulfonamide
SMILES: CN(C[C@@H](CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
InChI Key: InChIKey=BALBRXHVFNIXBS-AREMUKBSSA-N
Data: 4 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)) | BDBM50096557 (CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor. | Bioorg Med Chem Lett 11: 265-70 (2001) BindingDB Entry DOI: 10.7270/Q2668CFZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CCR5/mu opioid receptor complex (Homo sapiens (Human)) | BDBM50096557 (CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 1.00E+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/s00044-011-9863-2 BindingDB Entry DOI: 10.7270/Q20Z765N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50096557 (CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Ability to inhibit binding of [125I]-MIP-1 alpha to C-C chemokine receptor type 5 in Chinese hamster ovary (CHO) cell membranes | Bioorg Med Chem Lett 11: 3137-41 (2001) BindingDB Entry DOI: 10.7270/Q2XW4J4W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50096557 (CHEMBL312701 | N-[(S)-2-(3-Chloro-phenyl)-4-(4-phe...) | 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 | 30 | 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: 2469-73 (2001) BindingDB Entry DOI: 10.7270/Q26T0KWF | |||||||||||
More data for this Ligand-Target Pair |