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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen sulfotransferase' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen sulfotransferase


(Homo sapiens)
BDBM50109107
PNG
(6,8-Dichloro-4-oxo-4H-chromene-3-carbaldehyde O-{5...)
Show SMILES Oc1c(Br)cc(\C=N\OCCCCCO\N=C\c2coc3c(Cl)cc(Cl)cc3c2=O)cc1Br
Show InChI InChI=1S/C22H18Br2Cl2N2O5/c23-17-6-13(7-18(24)21(17)30)10-27-32-4-2-1-3-5-33-28-11-14-12-31-22-16(20(14)29)8-15(25)9-19(22)26/h6-12,30H,1-5H2/b27-10+,28-11+
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 250n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against estrogen sulfotransferase (EST), a human cytosolic sulfotransferase


Bioorg Med Chem Lett 12: 329-32 (2002)

More data for this
Ligand-Target Pair
Estrogen sulfotransferase


(Homo sapiens)
BDBM50109104
PNG
(6,8-Dichloro-4-oxo-4H-chromene-3-carbaldehyde O-{5...)
Show SMILES Oc1c([CH+][N-]OCCCCCO[N-][CH+]c2coc3c(Cl)cc(Cl)cc3c2=O)cc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C22H18BrCl2N3O7/c23-15-6-13(21(30)19(7-15)28(31)32)10-26-34-4-2-1-3-5-35-27-11-14-12-33-22-17(20(14)29)8-16(24)9-18(22)25/h6-12,30H,1-5H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against estrogen sulfotransferase (EST), a human cytosolic sulfotransferase.


Bioorg Med Chem Lett 12: 329-32 (2002)

More data for this
Ligand-Target Pair