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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50032151   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
PDB

UniProtKB/SwissProt

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CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type ERalpha expressed in HEK293T cells co-expressing ERE assessed as inhibition of estradiol-induced transactivati...


Bioorg Med Chem Lett 20: 5258-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.151
BindingDB Entry DOI: 10.7270/Q2GF0TPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50324966
PNG
(3-(2-(4-hydroxyphenyl)-3-(4-(2-(piperidin-1-yl)eth...)
Show SMILES OC(=O)\C=C\c1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C31H29NO5S/c33-24-10-6-23(7-11-24)31-29(26-14-4-21(5-15-28(34)35)20-27(26)38-31)30(36)22-8-12-25(13-9-22)37-19-18-32-16-2-1-3-17-32/h4-15,20,33H,1-3,16-19H2,(H,34,35)/b15-5+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Delaware

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type ERalpha expressed in HEK293T cells co-expressing ERE assessed as inhibition of estradiol-induced transactivati...


Bioorg Med Chem Lett 20: 5258-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.151
BindingDB Entry DOI: 10.7270/Q2GF0TPB
More data for this
Ligand-Target Pair