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BDBM40491 DIENESTROL::MLS000069528::SMR000058597::cid_667476

SMILES: C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1

InChI Key: InChIKey=NFDFQCUYFHCNBW-SCGPFSFSSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 40491   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM40491
PNG
(DIENESTROL | MLS000069528 | SMR000058597 | cid_667...)
Show SMILES C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1
Show InChI InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/a 2.56E+4n/an/an/an/an/an/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 (2010)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40491
PNG
(DIENESTROL | MLS000069528 | SMR000058597 | cid_667...)
Show SMILES C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1
Show InChI InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 1.32E+4n/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair