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Compile Data Set for Download or QSAR

Found 4 hits of non-affinity data for polymerid = 1068,50001377   
Target/Host
(Institution)
LigandTarget/Host
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
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM24300
PNG
((3-{[3-(sulfamoyloxy)phenyl](1H-1,2,4-triazol-1-yl...)
Show SMILES NS(=O)(=O)Oc1cccc(c1)C(c1cccc(OS(N)(=O)=O)c1)n1cncn1
Show InChI InChI=1S/C15H15N5O6S2/c16-27(21,22)25-13-5-1-3-11(7-13)15(20-10-18-9-19-20)12-4-2-6-14(8-12)26-28(17,23)24/h1-10,15H,(H2,16,21,22)(H2,17,23,24)
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Article
PubMed
n/an/an/an/an/an/an/a7.537



University of Bath



Assay Description
The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...


J Med Chem 51: 4226-38 (2008)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM24304
PNG
(Letrozole derivative, 28 | {4-[(4-cyanophenyl)(1H-...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C16H13N5O3S/c17-9-12-1-3-13(4-2-12)16(21-11-19-10-20-21)14-5-7-15(8-6-14)24-25(18,22)23/h1-8,10-11,16H,(H2,18,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.537



University of Bath



Assay Description
The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...


J Med Chem 51: 4226-38 (2008)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM24303
PNG
((2-methoxy-4-{[3-methoxy-4-(sulfamoyloxy)phenyl](1...)
Show SMILES COc1cc(ccc1OS(N)(=O)=O)C(c1ccc(OS(N)(=O)=O)c(OC)c1)n1cncn1
Show InChI InChI=1S/C17H19N5O8S2/c1-27-15-7-11(3-5-13(15)29-31(18,23)24)17(22-10-20-9-21-22)12-4-6-14(16(8-12)28-2)30-32(19,25)26/h3-10,17H,1-2H3,(H2,18,23,24)(H2,19,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.537



University of Bath



Assay Description
The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...


J Med Chem 51: 4226-38 (2008)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM24302
PNG
((2-methoxy-5-{[4-methoxy-3-(sulfamoyloxy)phenyl](1...)
Show SMILES COc1ccc(cc1OS(N)(=O)=O)C(c1ccc(OC)c(OS(N)(=O)=O)c1)n1cncn1
Show InChI InChI=1S/C17H19N5O8S2/c1-27-13-5-3-11(7-15(13)29-31(18,23)24)17(22-10-20-9-21-22)12-4-6-14(28-2)16(8-12)30-32(19,25)26/h3-10,17H,1-2H3,(H2,18,23,24)(H2,19,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.537



University of Bath



Assay Description
The extent of in vitro inhibition of sulfatase activities was assessed using intact monolayers of JEG-3 cells. Sulfatase activity was measured using ...


J Med Chem 51: 4226-38 (2008)

More data for this
Ligand-Target Pair