BDBM84321 4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-benzenesulfonamide::4-chloranyl-N-methyl-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::4-chloro-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-N-methyl-benzenesulfonamide::4-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide::4-chloro-N-methyl-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]benzenesulfonamide::MLS001223395::SMR000613536::cid_3164412
SMILES: CN(CC(=O)N1CCN(CC1)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
InChI Key: InChIKey=NDKMXYUGRAXKEP-UHFFFAOYSA-N
Data: 2 EC50
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 (Homo sapiens (Human)) | BDBM84321 (4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piper...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 7.46 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q23B5XSC | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM84321 (4-Chloro-N-methyl-N-[2-oxo-2-(4-pyridin-2-yl-piper...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 357 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2R49PB0 | |||||||||||
More data for this Ligand-Target Pair |