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BDBM50161701 (3-Chloro-phenyl)-(4-{4-[6-hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophene-3-carbonyl]-phenyl}-piperazin-1-yl)-methanone::CHEMBL178665

SMILES: Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cccc(Cl)c1

InChI Key: InChIKey=BDKWTFFBJKKPEK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161701   
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))
BDBM50161701
PNG
((3-Chloro-phenyl)-(4-{4-[6-hydroxy-2-(4-hydroxy-ph...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C32H25ClN2O4S/c33-23-3-1-2-22(18-23)32(39)35-16-14-34(15-17-35)24-8-4-20(5-9-24)30(38)29-27-13-12-26(37)19-28(27)40-31(29)21-6-10-25(36)11-7-21/h1-13,18-19,36-37H,14-17H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


Bioorg Med Chem Lett 15: 1505-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.074
BindingDB Entry DOI: 10.7270/Q2D21X4C
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50161701
PNG
((3-Chloro-phenyl)-(4-{4-[6-hydroxy-2-(4-hydroxy-ph...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C32H25ClN2O4S/c33-23-3-1-2-22(18-23)32(39)35-16-14-34(15-17-35)24-8-4-20(5-9-24)30(38)29-27-13-12-26(37)19-28(27)40-31(29)21-6-10-25(36)11-7-21/h1-13,18-19,36-37H,14-17H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor alpha


Bioorg Med Chem Lett 15: 1505-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.074
BindingDB Entry DOI: 10.7270/Q2D21X4C
More data for this
Ligand-Target Pair