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BDBM50072691 CHEMBL2303731::N-[2-(3,5-Dihydroxy-2-hydroxymethyl-6-methoxy-tetrahydro-pyran-4-yloxy)-4,5-dihydroxy-6-mercaptomethyl-tetrahydro-pyran-3-yl]-acetamide

SMILES: CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](CS)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O

InChI Key: InChIKey=KJOLNSMZEBPAIX-YELBUGOVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50072691   
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
β-1,4-Galactosyltransferase I (β4GalT)


(Bos taurus (Cattle))		BDBM50072691
PNG
(CHEMBL2303731 | N-[2-(3,5-Dihydroxy-2-hydroxymethy...)
Show SMILES CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](CS)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O |r|
Show InChI InChI=1S/C15H27NO10S/c1-5(18)16-8-11(21)9(19)7(4-27)25-14(8)26-13-10(20)6(3-17)24-15(23-2)12(13)22/h6-15,17,19-22,27H,3-4H2,1-2H3,(H,16,18)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.00E+6n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT)

Bioorg Med Chem Lett 8: 3359-64 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MB2
More data for this
Ligand-Target Pair