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BDBM50212152 6-(1,1-dioxo-1,2,3,6-tetrahydro-1lambda*6*-thiopyran-4-yl)-5-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-ol::CHEMBL244207

SMILES: Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1=CCS(=O)(=O)CC1

InChI Key: InChIKey=PRSCKUYRGQJIGJ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212152   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50212152
PNG
(6-(1,1-dioxo-1,2,3,6-tetrahydro-1lambda*6*-thiopyr...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1=CCS(=O)(=O)CC1 |t:31|
Show InChI InChI=1S/C28H31NO5S/c30-23-5-11-27-22(20-23)4-10-26(21-12-18-35(31,32)19-13-21)28(27)34-25-8-6-24(7-9-25)33-17-16-29-14-2-1-3-15-29/h4-12,20,30H,1-3,13-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.03n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50212152
PNG
(6-(1,1-dioxo-1,2,3,6-tetrahydro-1lambda*6*-thiopyr...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1=CCS(=O)(=O)CC1 |t:31|
Show InChI InChI=1S/C28H31NO5S/c30-23-5-11-27-22(20-23)4-10-26(21-12-18-35(31,32)19-13-21)28(27)34-25-8-6-24(7-9-25)33-17-16-29-14-2-1-3-15-29/h4-12,20,30H,1-3,13-19H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta


Bioorg Med Chem Lett 17: 3544-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F
More data for this
Ligand-Target Pair