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BDBM50161709 CHEMBL182237::{4-[4-(4,6-Dimethyl-pyrimidin-2-yl)-piperazin-1-yl]-phenyl}-[6-hydroxy-2-(4-hydroxy-phenyl)-benzo[b]thiophen-3-yl]-methanone

SMILES: Cc1cc(C)nc(n1)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1

InChI Key: InChIKey=VLKYUZYMXSVULD-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50161709   
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))
BDBM50161709
PNG
(CHEMBL182237 | {4-[4-(4,6-Dimethyl-pyrimidin-2-yl)...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C31H28N4O3S/c1-19-17-20(2)33-31(32-19)35-15-13-34(14-16-35)23-7-3-21(4-8-23)29(38)28-26-12-11-25(37)18-27(26)39-30(28)22-5-9-24(36)10-6-22/h3-12,17-18,36-37H,13-16H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 66.5n/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))
BDBM50161709
PNG
(CHEMBL182237 | {4-[4-(4,6-Dimethyl-pyrimidin-2-yl)...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CC1)c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C31H28N4O3S/c1-19-17-20(2)33-31(32-19)35-15-13-34(14-16-35)23-7-3-21(4-8-23)29(38)28-26-12-11-25(37)18-27(26)39-30(28)22-5-9-24(36)10-6-22/h3-12,17-18,36-37H,13-16H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.12n/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