BDBM61863 2-[(2,6-diketo-4,4-dimethyl-cyclohexyl)-(5-ethyl-4-nitro-2-thienyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone::2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(5-ethyl-4-nitro-2-thiophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione::2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(5-ethyl-4-nitrothiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione::2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-(5-ethyl-4-nitro-thiophen-2-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione::MLS000708681::SMR000289248::cid_1078769

SMILES CCc1sc(cc1[N+]([O-])=O)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O

InChI Key InChIKey=LUFMHBQKBGNKAD-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 61863   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61863(MLS000708681 | SMR000289248 | cid_1078769 | 2-[[4,...)
Affinity DataIC50: 6.08E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61863(MLS000708681 | SMR000289248 | cid_1078769 | 2-[[4,...)
Affinity DataIC50: 1.09E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay