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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sulfotransferase 1E1' and Ligand = 'BDBM50102702'   
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
Sulfotransferase 1E1


(Mus musculus)		BDBM50102702
PNG
(2-[2-Benzylamino-6-(4-methoxy-benzylamino)-purin-9...)
Show SMILES COc1ccc(CNc2nc(NCc3ccccc3)nc3n(CCO)cnc23)cc1
Show InChI InChI=1S/C22H24N6O2/c1-30-18-9-7-17(8-10-18)13-23-20-19-21(28(11-12-29)15-25-19)27-22(26-20)24-14-16-5-3-2-4-6-16/h2-10,15,29H,11-14H2,1H3,(H2,23,24,26,27)
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of estrogen sulfotransferase (EST) in TLC radiolabel transfer assay

J Med Chem 44: 2683-6 (2001)


BindingDB Entry DOI: 10.7270/Q28W3CKC
More data for this
Ligand-Target Pair