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BDBM50167738 10-[4-(2-Morpholin-4-yl-ethoxy)-benzyl]-10H-benzo[4,5]thieno[3,2-b]indole-3,7-diol::CHEMBL370282

SMILES: Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21

InChI Key: InChIKey=CHIFIFZCODWRBM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50167738   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50167738
PNG
(10-[4-(2-Morpholin-4-yl-ethoxy)-benzyl]-10H-benzo[...)
Show SMILES Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21
Show InChI InChI=1S/C27H26N2O4S/c30-19-4-8-24-23(15-19)27-26(22-7-3-20(31)16-25(22)34-27)29(24)17-18-1-5-21(6-2-18)33-14-11-28-9-12-32-13-10-28/h1-8,15-16,30-31H,9-14,17H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21.4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta


Bioorg Med Chem Lett 15: 2891-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.111
BindingDB Entry DOI: 10.7270/Q2JW8DDX
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50167738
PNG
(10-[4-(2-Morpholin-4-yl-ethoxy)-benzyl]-10H-benzo[...)
Show SMILES Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCOCC4)cc3)c21
Show InChI InChI=1S/C27H26N2O4S/c30-19-4-8-24-23(15-19)27-26(22-7-3-20(31)16-25(22)34-27)29(24)17-18-1-5-21(6-2-18)33-14-11-28-9-12-32-13-10-28/h1-8,15-16,30-31H,9-14,17H2
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitino of [3H]-17-beta-estradiol binding to human estrogen receptor alpha


Bioorg Med Chem Lett 15: 2891-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.111
BindingDB Entry DOI: 10.7270/Q2JW8DDX
More data for this
Ligand-Target Pair