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BDBM50154118 2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol::2-(4-hydroxyphenyl)-7-propylbenzo[d]oxazol-5-ol::CHEMBL188957

SMILES: CCCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1

InChI Key: InChIKey=VHUQNFQIHPMAAE-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50154118   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50154118
PNG
(2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol | 2...)
Show SMILES CCCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H15NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h4-9,18-19H,2-3H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand


J Med Chem 47: 5021-40 (2004)


Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50154118
PNG
(2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol | 2...)
Show SMILES CCCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H15NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h4-9,18-19H,2-3H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Yantai University

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin)


Eur J Med Chem 43: 43-52 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.002
BindingDB Entry DOI: 10.7270/Q2WD40BT
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50154118
PNG
(2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol | 2...)
Show SMILES CCCc1cc(O)cc2nc(oc12)-c1ccc(O)cc1
Show InChI InChI=1S/C16H15NO3/c1-2-3-11-8-13(19)9-14-15(11)20-16(17-14)10-4-6-12(18)7-5-10/h4-9,18-19H,2-3H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand


J Med Chem 47: 5021-40 (2004)


Article DOI: 10.1021/jm049719y
BindingDB Entry DOI: 10.7270/Q2C828S5
More data for this
Ligand-Target Pair