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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50119001'   
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


(RAT)
BDBM50119001
PNG
((2,4-Dimethyl-phenyl)-[6-hydroxy-3-(2-methoxy-benz...)
Show SMILES COc1ccccc1Cc1c(oc2cc(O)ccc12)C(=O)c1ccc(C)cc1C
Show InChI InChI=1S/C25H22O4/c1-15-8-10-19(16(2)12-15)24(27)25-21(13-17-6-4-5-7-22(17)28-3)20-11-9-18(26)14-23(20)29-25/h4-12,14,26H,13H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 380n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Binding to Estrogen receptor- alpha (ER alpha) receptor


Bioorg Med Chem Lett 12: 2875-8 (2002)


BindingDB Entry DOI: 10.7270/Q2F18Z2H
More data for this
Ligand-Target Pair