BDBM56683 4-Acetoxy-9-bromo-3a-ethyl-5-hydroxy-8-methoxy-6-methyl-3a,4,5,5a,6,11,12,12b-oc::MLS000727817::SMR000306514::cid_6618799

SMILES CC[C@]12C=CCN3CCC4(C(N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]1OC(C)=O)C(=O)OC)C23

InChI Key InChIKey=OTYOQSWRKXGMLS-XQQCFKJWSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 56683   

TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56683(4-Acetoxy-9-bromo-3a-ethyl-5-hydroxy-8-methoxy-6-m...)
Affinity DataIC50:  5.00E+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
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM56683(4-Acetoxy-9-bromo-3a-ethyl-5-hydroxy-8-methoxy-6-m...)
Affinity DataIC50:  1.81E+3nMT: 2°CAssay 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 DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM56683(4-Acetoxy-9-bromo-3a-ethyl-5-hydroxy-8-methoxy-6-m...)
Affinity DataIC50:  2.14E+3nMT: 2°CAssay 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 DepthDetails PCBioAssay