BDBM44172 3-(4-Fluoro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxylic acid (thiophen-2-ylmethyl)-amide::3-(4-fluorobenzyl)-7-keto-N-(2-thenyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide::3-[(4-fluorophenyl)methyl]-7-oxidanylidene-N-(thiophen-2-ylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5-carboxamide::3-[(4-fluorophenyl)methyl]-7-oxo-N-(thiophen-2-ylmethyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide::MLS000074753::SMR000007827::cid_645098
SMILES: Fc1ccc(Cn2nnc3c2nc([nH]c3=O)C(=O)NCc2cccs2)cc1
InChI Key: InChIKey=DWTBQJLQDBHTRE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM44172 (3-(4-Fluoro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.11E+7 | 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)) | BDBM44172 (3-(4-Fluoro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 9.90E+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 |