BDBM51582 4-butyl-8-[(dimethylamino)methyl]-7-hydroxy-1-benzopyran-2-one::4-butyl-8-[(dimethylamino)methyl]-7-hydroxy-2H-chromen-2-one::4-butyl-8-[(dimethylamino)methyl]-7-hydroxy-coumarin::4-butyl-8-[(dimethylamino)methyl]-7-hydroxychromen-2-one::4-butyl-8-[(dimethylamino)methyl]-7-oxidanyl-chromen-2-one::MLS000064304::SMR000076431::cid_5553318
SMILES: CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12
InChI Key: InChIKey=MUSUVMDVWQVBIN-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (Mycobacterium tuberculosis H37Rv) | BDBM51582 (4-butyl-8-[(dimethylamino)methyl]-7-hydroxy-1-benz...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 513 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycogen synthase kinase-3 beta (Homo sapiens (Human)) | BDBM51582 (4-butyl-8-[(dimethylamino)methyl]-7-hydroxy-1-benz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia)) | BDBM51582 (4-butyl-8-[(dimethylamino)methyl]-7-hydroxy-1-benz...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J | |||||||||||
More data for this Ligand-Target Pair |