BDBM32847 (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-chloranylbenzoate::(5,5-dimethyl-3-oxocyclohexen-1-yl) 4-chlorobenzoate::4-chlorobenzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester::4-chlorobenzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester::5,5-dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate::MLS000326693::SMR000179255::cid_2732003

SMILES CC1(C)CC(=O)C=C(C1)OC(=O)c1ccc(Cl)cc1

InChI Key InChIKey=KKORKSCDUXGMSV-UHFFFAOYSA-N

Data  1 KI  3 IC50

  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 3 hits for monomerid = 32847   

TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Ecole Polytechnique FÉDÉRale De Lausanne

LigandPNGBDBM32847((5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-c...)
Affinity DataKi:  1.30E+3nM IC50:  3.31E+3nMpH: 6.5Assay Description:The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32847((5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-c...)
Affinity DataIC50:  8.55E+3nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32847((5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 4-c...)
Affinity DataIC50:  1.55E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay