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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.0
BDBM367637

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM367637
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C29H30ClN3O4/c30-24-15-19(8-12-26(24)37-20-9-10-20)28(34)25(16-33-13-3-4-14-33)31-29(35)27-22-11-7-18-5-1-2-6-21(18)23(22)17-36-32-27/h1-2,5-8,11-12,15,20,25,28,34H,3-4,9-10,13-14,16-17H2,(H,31,35)/t25-,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



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))
BDBM367637
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C29H30ClN3O4/c30-24-15-19(8-12-26(24)37-20-9-10-20)28(34)25(16-33-13-3-4-14-33)31-29(35)27-22-11-7-18-5-1-2-6-21(18)23(22)17-36-32-27/h1-2,5-8,11-12,15,20,25,28,34H,3-4,9-10,13-14,16-17H2,(H,31,35)/t25-,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