BDBM43432 4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imidazole::4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole::4-[(4-fluorophenyl)methylthio]-2-methyl-5-nitro-1H-imidazole::5-[(4-fluorobenzyl)thio]-2-methyl-4-nitro-1H-imidazole::MLS000677201::SMR000271028::cid_801720
SMILES: Cc1nc(c(SCc2ccc(F)cc2)[nH]1)[N+]([O-])=O
InChI Key: InChIKey=CHWVKFWFTIBPHF-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM43432 (4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 8.78E+5 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM43432 (4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 4.66E+3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM43432 (4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 6.28E+3 | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TX3CSC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MDM2-MDMX (Homo sapiens (Human)) | BDBM43432 (4-[(4-fluorobenzyl)thio]-2-methyl-5-nitro-1H-imida...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 7.19E+3 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21J984Z | |||||||||||
More data for this Ligand-Target Pair |