BDBM79632 2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one::2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone::2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one::2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one::MLS001048906::SMR000387099::US9790158, 9::cid_3611
SMILES: CC(C)c1cccc(O)c(=O)c1
InChI Key: InChIKey=FUWUEFKEXZQKKA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM79632 (2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | 3.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF CONNECTICUT US Patent | Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina... | US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM79632 (2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNIVERSITY OF CONNECTICUT US Patent | Assay Description Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina... | US Patent US9790158 (2017) BindingDB Entry DOI: 10.7270/Q2QZ2D3V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
p53-Binding Protein HDMX (Homo sapiens (Human)) | BDBM79632 (2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2PG1Q6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BRCA1-associated RING domain protein 1 (Homo sapiens (Human)) | BDBM79632 (2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2DZ06SS | |||||||||||
More data for this Ligand-Target Pair |