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BDBM50153700 CHEMBL3775176

SMILES: CC(C)CN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=MGDZEIOULYKLRY-BPOCNNFQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50153700   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50153700
PNG
(CHEMBL3775176)
Show SMILES CC(C)CN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
Show InChI InChI=1S/C23H27NO2/c1-16(2)15-24-17(3)14-20-6-4-5-7-21(20)23(24)19-11-8-18(9-12-19)10-13-22(25)26/h4-13,16-17,23H,14-15H2,1-3H3,(H,25,26)/b13-10+/t17-,23-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 230n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of fluormone ES2 from GST-tagged recombinant human ERalpha LBD after 1 hr by Lanthascreen TR-FRET assay


ACS Med Chem Lett 7: 94-9 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7XHZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50153700
PNG
(CHEMBL3775176)
Show SMILES CC(C)CN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
Show InChI InChI=1S/C23H27NO2/c1-16(2)15-24-17(3)14-20-6-4-5-7-21(20)23(24)19-11-8-18(9-12-19)10-13-22(25)26/h4-13,16-17,23H,14-15H2,1-3H3,(H,25,26)/b13-10+/t17-,23-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 82n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Downregulation of ERalpha in human MCF7 cells incubated for 18 to 22 hrs by immunofluorescence assay


ACS Med Chem Lett 7: 94-9 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7XHZ
More data for this
Ligand-Target Pair