BDBM48091 2-[[[2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]-3-pyridyl]amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone::2-[[[2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-3-pyridinyl]amino]methylidene]-5,5-dimethylcyclohexane-1,3-dione::2-[[[2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]pyridin-3-yl]amino]methylidene]-5,5-dimethylcyclohexane-1,3-dione::2-[[[2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]pyridin-3-yl]amino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione::2-{[(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}pyridin-3-yl)amino]methylene}-5,5-dimethylcyclohexane-1,3-dione::MLS000724194::SMR000305788::cid_5243548

SMILES CC1(C)CC(=O)C(=CNc2cccnc2NC=C2C(=O)CC(C)(C)CC2=O)C(=O)C1

InChI Key InChIKey=IIFLAMXLZBCCSM-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 48091   

TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 48091BDBM48091(2-{[(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)me...)
Affinity DataIC50: 980nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 48091BDBM48091(2-{[(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)me...)
Affinity DataEC50:  1.67E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay