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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'yang' and Initial = 'qr'   
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

antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human ERalpha expressed in african green monkey CV1 cells assessed as inhibition of estrogen like activity after 24 hrs by luc...


J Nat Prod 69: 247-50 (2006)


Article DOI: 10.1021/np050457s
BindingDB Entry DOI: 10.7270/Q22B8XS6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50250270
PNG
(7,8-trans-8,8'-trans-7',8'-cis-7,7'-bis(5-methoxy-...)
Show SMILES COc1cc(cc2OCOc12)[C@@H]1O[C@@H]([C@@H](COC(C)=O)[C@@H]1CO)c1cc2OCOc2c(OC)c1 |r|
Show InChI InChI=1S/C24H26O10/c1-12(26)29-9-16-15(8-25)21(13-4-17(27-2)23-19(6-13)30-10-32-23)34-22(16)14-5-18(28-3)24-20(7-14)31-11-33-24/h4-7,15-16,21-22,25H,8-11H2,1-3H3/t15-,16-,21-,22+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human ERalpha expressed in african green monkey CV1 cells by luciferase reporter gene assay relative to 17beta estradiol


J Nat Prod 69: 247-50 (2006)


Article DOI: 10.1021/np050457s
BindingDB Entry DOI: 10.7270/Q22B8XS6
More data for this
Ligand-Target Pair