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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50121590   
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 beta


(Homo sapiens (Human))
BDBM50121590
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c1-19-17-35(18-20(2)30-19)27-32-25(29-15-14-22-8-12-24(36)13-9-22)31-26(33-27)34(3)16-4-5-21-6-10-23(28)11-7-21/h6-13,19-20,30,36H,4-5,14-18H2,1-3H3,(H,29,31,32,33)/t19-,20+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor 2 using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50121590
PNG
(4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1nc(NCCc2ccc(O)cc2)nc(n1)N(C)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c1-19-17-35(18-20(2)30-19)27-32-25(29-15-14-22-8-12-24(36)13-9-22)31-26(33-27)34(3)16-4-5-21-6-10-23(28)11-7-21/h6-13,19-20,30,36H,4-5,14-18H2,1-3H3,(H,29,31,32,33)/t19-,20+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Estrogen receptor alpha using [3H]-17-beta-estradiol as radioligand


J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
More data for this
Ligand-Target Pair