BDBM54959 3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-(3-ethoxyphenyl)-3-(2-furanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-(3-ethoxyphenyl)-3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::VU0228593-3::cid_662842
SMILES: CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
InChI Key: InChIKey=AKWTVMAIUSIXCS-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mitogen-activated protein kinase kinase kinase 3 isoform 1 (Homo sapiens (Human)) | BDBM54959 (3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q81BH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human)) | BDBM54959 (3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2KH0KRZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human)) | BDBM54959 (3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FQ9V13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human)) | BDBM54959 (3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of hexa-His-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate asse... | Bioorg Med Chem Lett 24: 3050-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.028 BindingDB Entry DOI: 10.7270/Q2MW2JSV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...) | BDBM54959 (3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FN14T0 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...) | BDBM54959 (3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29W0D3P | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...) | BDBM54959 (3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KD1WJB | ||||||||||||
More data for this Ligand-Target Pair |