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Compile Data Set for Download or QSAR

Found 2 hits of affinity data for UniProtKB/TrEMBL: Q64676   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Mus musculus)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H22F6N4O4S/c1-10(8-33-20(24,25)26)28-18(32)34-11-3-5-30(6-4-11)14-7-13(19(21,22)23)16-15(29-14)12(9-35-16)17(31)27-2/h7,9-11H,3-6,8H2,1-2H3,(H,27,31)(H,28,32)/t10-/m0/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse UGT8 assessed as redcution in GalCer accumulation


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Mus musculus)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H22F6N4O4S/c1-10(8-33-20(24,25)26)28-18(32)34-11-3-5-30(6-4-11)14-7-13(19(21,22)23)16-15(29-14)12(9-35-16)17(31)27-2/h7,9-11H,3-6,8H2,1-2H3,(H,27,31)(H,28,32)/t10-/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of mouse UGT8 assessed as redcution in SFT accumulation


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair