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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ceramide glucosyltransferase' and Ligand = 'BDBM367638'   
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))
BDBM367638
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CC1(C)ON=C(C(=O)N[C@H](CN2CCCC2)[C@H](O)c2ccc(OC3CC3)c(Cl)c2)c2ccc(cc12)-c1ccc(F)cc1 |r,t:4|
Show InChI InChI=1S/C33H35ClFN3O4/c1-33(2)26-17-21(20-5-9-23(35)10-6-20)7-13-25(26)30(37-42-33)32(40)36-28(19-38-15-3-4-16-38)31(39)22-8-14-29(27(34)18-22)41-24-11-12-24/h5-10,13-14,17-18,24,28,31,39H,3-4,11-12,15-16,19H2,1-2H3,(H,36,40)/t28-,31-/m1/s1
NCI pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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))
BDBM367638
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CC1(C)ON=C(C(=O)N[C@H](CN2CCCC2)[C@H](O)c2ccc(OC3CC3)c(Cl)c2)c2ccc(cc12)-c1ccc(F)cc1 |r,t:4|
Show InChI InChI=1S/C33H35ClFN3O4/c1-33(2)26-17-21(20-5-9-23(35)10-6-20)7-13-25(26)30(37-42-33)32(40)36-28(19-38-15-3-4-16-38)31(39)22-8-14-29(27(34)18-22)41-24-11-12-24/h5-10,13-14,17-18,24,28,31,39H,3-4,11-12,15-16,19H2,1-2H3,(H,36,40)/t28-,31-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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