BDBM50121626 4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-piperazin-1-yl-[1,3,5]triazin-2-ylamino}-ethyl)-phenol::4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL::CHEMBL346455

SMILES c1cc(ccc1CCNc2nc(nc(n2)SCCCc3ccc(cc3)Cl)N4CCNCC4)O

InChI Key InChIKey=AIBKIFHSQQYXLG-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50121626   

TargetEstrogen receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121626(4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...)
Affinity DataEC50:  160nMAssay Description:Agonist effect on transcriptional activation in T47D cells expressing estrogen receptor alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121626(4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...)
Affinity DataIC50: 6nMAssay Description:In vitro inhibition of 1 nM 17-beta-estradiol induced transcriptional activation in T47D cells expressing estrogen receptor betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEstrogen receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121626(4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...)
Affinity DataIC50: 80nMAssay Description:In vitro inhibition of transcriptional activation induced by 1 nM 17-beta estradiol in T47D cells expressing estrogen receptor alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121626(4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...)
Affinity DataKi:  15nMAssay Description:In vitro binding affinity towards human Estrogen receptor 2 using [3H]17-beta-estradiol as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEstrogen receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50121626(4-(2-{4-[3-(4-Chloro-phenyl)-propylsulfanyl]-6-pip...)
Affinity DataKi:  160nMAssay Description:In vitro binding affinity towards human Estrogen receptor alpha using [3H]17-beta-estradiol as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed