BDBM47630 (5Z)-3-butyl-5-[(2E,4E)-5-phenylazanylpenta-2,4-dienylidene]-2-sulfanylidene-1,3-thiazolidin-4-one::(5Z)-5-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one::(5Z)-5-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-3-butyl-2-sulfanylidene-4-thiazolidinone::(5Z)-5-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-3-butyl-2-thioxo-thiazolidin-4-one::MLS000717916::SMR000279484::cid_5759276
SMILES: CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S
InChI Key: InChIKey=UDFOLNQMBFAAFP-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
glutathione S-transferase (Homo sapiens (Human)) | BDBM47630 ((5Z)-3-butyl-5-[(2E,4E)-5-phenylazanylpenta-2,4-di...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 576 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human)) | BDBM47630 ((5Z)-3-butyl-5-[(2E,4E)-5-phenylazanylpenta-2,4-di...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.12E+3 | 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/Q21Z42TP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human)) | BDBM47630 ((5Z)-3-butyl-5-[(2E,4E)-5-phenylazanylpenta-2,4-di...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.71E+3 | 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/Q25Q4THK | |||||||||||
More data for this Ligand-Target Pair |