BDBM51893 4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpiperidino)propyl]-5,7-dimethoxy-coumarin::8-[1-(1,3-benzodioxol-5-yl)-3-(3-methyl-1-piperidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one::8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpiperidin-1-yl)propyl]-5,7-dimethoxy-4-pentyl-chromen-2-one::8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpiperidin-1-yl)propyl]-5,7-dimethoxy-4-pentylchromen-2-one::MLS000879378::SMR000465604::cid_16746257
SMILES: CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
InChI Key: InChIKey=PODNXBRQMKYVOI-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 kinase 2 (Homo sapiens (Human)) | BDBM51893 (4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpipe...) | 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 | 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/Q25Q4THK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
neutrophil cytosolic factor 1 (Homo sapiens (Human)) | BDBM51893 (4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpipe...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human)) | BDBM51893 (4-amyl-8-[1-(1,3-benzodioxol-5-yl)-3-(3-methylpipe...) | 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 | 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/Q21Z42TP | |||||||||||
More data for this Ligand-Target Pair |