BDBM44138 (4E)-4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2-phenyl-2-pyrazolin-3-one::(4E)-4-[(2,4-difluoroanilino)methylidene]-5-ethoxy-2-phenyl-3-pyrazolone::(4E)-4-[(2,4-difluoroanilino)methylidene]-5-ethoxy-2-phenylpyrazol-3-one::(4E)-4-[[[2,4-bis(fluoranyl)phenyl]amino]methylidene]-5-ethoxy-2-phenyl-pyrazol-3-one::4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one::MLS000756014::SMR000337688::cid_16195240
SMILES: CCOc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1F
InChI Key: InChIKey=JQWSJTMNRFGZOY-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)) | BDBM44138 ((4E)-4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 32.3 | 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/Q2Q52N1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM44138 ((4E)-4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 5.86E+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/Q2PN942B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM44138 ((4E)-4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 9.76E+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/Q2QV3JZ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM44138 ((4E)-4-[(2,4-difluoroanilino)methylene]-5-ethoxy-2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 461 | 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 |