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BDBM269448 (E)-2-(2- isopropylphenyl)-3-(4- (2-(5-propyl-1,3,4- oxadiazol-2- yl)vinyl)phenoxy)benzo [b]thiophen-6-ol::US10058534, 103

SMILES: CCCc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccccc3C(C)C)cc2)o1

InChI Key: InChIKey=GHWAJDYUYDORMA-SFQUDFHCSA-N

Data: 2 IC50

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 = 269448   
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))
BDBM269448
PNG
((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-propyl-1,3,...)
Show SMILES CCCc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccccc3C(C)C)cc2)o1
Show InChI InChI=1S/C30H28N2O3S/c1-4-7-27-31-32-28(35-27)17-12-20-10-14-22(15-11-20)34-29-25-16-13-21(33)18-26(25)36-30(29)24-9-6-5-8-23(24)19(2)3/h5-6,8-19,33H,4,7H2,1-3H3/b17-12+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...


US Patent US10058534 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM269448
PNG
((E)-2-(2- isopropylphenyl)-3-(4- (2-(5-propyl-1,3,...)
Show SMILES CCCc1nnc(\C=C\c2ccc(Oc3c(sc4cc(O)ccc34)-c3ccccc3C(C)C)cc2)o1
Show InChI InChI=1S/C30H28N2O3S/c1-4-7-27-31-32-28(35-27)17-12-20-10-14-22(15-11-20)34-29-25-16-13-21(33)18-26(25)36-30(29)24-9-6-5-8-23(24)19(2)3/h5-6,8-19,33H,4,7H2,1-3H3/b17-12+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/a5.137



Novartis AG

US Patent


Assay Description
The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...


US Patent US10058534 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair