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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ceramide glucosyltransferase' and Ligand = 'BDBM367644'   
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
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367644
PNG
(N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C29H30FN3O4/c30-20-6-12-23-19(15-20)5-11-24-25(23)17-36-32-27(24)29(35)31-26(16-33-13-1-2-14-33)28(34)18-3-7-21(8-4-18)37-22-9-10-22/h3-8,11-12,15,22,26,28,34H,1-2,9-10,13-14,16-17H2,(H,31,35)/t26-,28-/m1/s1
NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



TBA

US Patent


Assay Description
Protein concentration was determined using BCA assay kit. Sixty micrograms of MDCK cell lysate was incubated with various concentrations of a compoun...


US Patent US10759769 (2020)


BindingDB Entry DOI: 10.7270/Q2GT5R8T
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367644
PNG
(N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C29H30FN3O4/c30-20-6-12-23-19(15-20)5-11-24-25(23)17-36-32-27(24)29(35)31-26(16-33-13-1-2-14-33)28(34)18-3-7-21(8-4-18)37-22-9-10-22/h3-8,11-12,15,22,26,28,34H,1-2,9-10,13-14,16-17H2,(H,31,35)/t26-,28-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Wyeth Research



Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


J Med Chem 51: 1319-23 (2008)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair