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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor beta' and Ligand = 'BDBM50085657'   
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))
BDBM50085657
PNG
(4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 9.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue


Bioorg Med Chem Lett 10: 2383-6 (2000)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50085657
PNG
(4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 9.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue


Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Mus musculus)
BDBM50085657
PNG
(4-(1-Ethyl-pyrrolo[2,1,5-cd]indolizin-2-yl)-phenol...)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n23
Show InChI InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 0.960n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Uterotrophic activity in immature mouse


Bioorg Med Chem Lett 10: 399-402 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair