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

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 79632   

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...) Show SMILES CC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	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...) Show SMILES CC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	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...) Show SMILES CC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	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...) Show SMILES CC(C)c1cccc(O)c(=O)c1 Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)	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