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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50228276'   
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


(RAT-Rattus norvegicus)
BDBM50228276
PNG
(CHEMBL1627365)
Show SMILES [H][C@@]12CCC(=C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C19H24O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11,16-18,20H,1,3-4,6,8-10H2,2H3/t16-,17-,18+,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.98E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor in mature rat


J Med Chem 32: 1642-52 (1989)


BindingDB Entry DOI: 10.7270/Q25141F8
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50228276
PNG
(CHEMBL1627365)
Show SMILES [H][C@@]12CCC(=C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|
Show InChI InChI=1S/C19H24O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11,16-18,20H,1,3-4,6,8-10H2,2H3/t16-,17-,18+,19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 5.58E+3n/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from estrogen receptor in immature rabbit


J Med Chem 32: 1642-52 (1989)


BindingDB Entry DOI: 10.7270/Q25141F8
More data for this
Ligand-Target Pair